Product Name

  • Name

    4-oxopiperidinium chloride

  • EINECS 255-602-8
  • CAS No. 41979-39-9
  • Article Data12
  • CAS DataBase
  • Density 1.001 g/cm3
  • Solubility
  • Melting Point 145.5-147 °C(Solv: acetonitrile (75-05-8))
  • Formula C5H10ClNO
  • Boiling Point 175.1 °C at 760 mmHg
  • Molecular Weight 135.594
  • Flash Point 84.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 41979-39-9 (4-oxopiperidinium chloride)
  • Hazard Symbols
  • Synonyms 4-Piperidinone,hydrochloride (9CI);4-Oxopiperidine hydrochloride;4-Piperidone hydrochloride;Piperidin-4-one monohydrate hydrochloride;
  • PSA 33.68000
  • LogP -2.51410

Synthetic route

N-tert-butyloxycarbonylpiperidin-4-one
79099-07-3

N-tert-butyloxycarbonylpiperidin-4-one

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In methanol at 0 - 20℃;100%
With hydrogenchloride In 1,4-dioxane at 0 - 20℃; for 2h;99%
With hydrogenchloride In 1,4-dioxane at 15℃; for 12h;97%
1-phenylmethyl-4-piperidone
3612-20-2

1-phenylmethyl-4-piperidone

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; hydrogen; palladium dihydroxide In ethanol at 20℃; under 3102.89 Torr; for 24h;97%
3-[3-(4-hydroxypiperidinylazo)phenoxy]propyloxymethylpolystyrene

3-[3-(4-hydroxypiperidinylazo)phenoxy]propyloxymethylpolystyrene

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

Conditions
ConditionsYield
Stage #1: 3-[3-(4-hydroxypiperidinylazo)phenoxy]propyloxymethylpolystyrene With pyridine; Dess-Martin periodane In dichloromethane at 20℃; for 72h;
Stage #2: With trifluoroacetic acid In dichloromethane at 0℃;
Stage #3: With hydrogenchloride In dichloromethane Further stages.;		62%
4-Oxo-piperidine-3-carboximidic acid methyl ester; hydrochloride

4-Oxo-piperidine-3-carboximidic acid methyl ester; hydrochloride

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

Conditions
ConditionsYield
With hydrogenchloride for 0.5h; Heating;50%
piperidine-4,4-diol hydrochloride
40064-34-4

piperidine-4,4-diol hydrochloride

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

Conditions
ConditionsYield
With thionyl chloride
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

N-tert-butyloxycarbonylpiperidin-4-one
79099-07-3

N-tert-butyloxycarbonylpiperidin-4-one

Conditions
ConditionsYield
With sodium hydrogencarbonate In water 1) 35 deg C, 1 h; 2) 50 deg C, 2.5 h;100%
With sodium hydroxide In tetrahydrofuran; water at 20℃; for 16h;100%
Stage #1: di-tert-butyl dicarbonate; 4-piperidone hydrochloride With triethylamine; dmap In methanol at 20℃; for 20h;
Stage #2: With hydrogenchloride In dichloromethane		100%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

benzyl chloroformate
501-53-1

benzyl chloroformate

benzyl 4-oxo-1-piperidinecarboxylate
19099-93-5

benzyl 4-oxo-1-piperidinecarboxylate

Conditions
ConditionsYield
With potassium carbonate In tetrahydrofuran; water at 0 - 20℃;100%
With sodium hydrogencarbonate In 1,4-dioxane; water at 18 - 25℃; for 48h;100%
With sodium hydroxide In tetrahydrofuran; water at 0℃; for 1h;99.5%
6-fluoro-1H-indole
399-51-9

6-fluoro-1H-indole

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

6-fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
180161-14-2

6-fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole

Conditions
ConditionsYield
With potassium hydroxide In methanol for 60h; Condensation; Heating;100%
With potassium hydroxide In methanol at 70℃; for 5h;
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

4-methoxy-benzaldehyde
123-11-5

4-methoxy-benzaldehyde

(3E,5E)-3,5-bis(4′-methoxybenzylidene)-piperidin-4-one
919091-64-8

(3E,5E)-3,5-bis(4′-methoxybenzylidene)-piperidin-4-one

Conditions
ConditionsYield
With hydrogenchloride; acetic acid at 20℃; for 24h;100%
With hydrogenchloride; acetic acid
With sodium hydroxide In methanol at 20℃; for 3h; Aldol Condensation;
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

methyl chloroformate
79-22-1

methyl chloroformate

4-oxo-piperidine-1-carboxylic acid methyl ester
29976-54-3

4-oxo-piperidine-1-carboxylic acid methyl ester

Conditions
ConditionsYield
Stage #1: 4-piperidone hydrochloride With potassium carbonate In tetrahydrofuran; water at 20℃; Inert atmosphere;
Stage #2: methyl chloroformate In tetrahydrofuran; water at 0 - 20℃; for 2h; Inert atmosphere;		100%
With potassium carbonate In water at 0℃; for 2h;98.7%
With potassium carbonate In water at 0℃; for 2h;94%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

1-(4-fluorophenyl)-N-methyl-1H-indole-5-carboxamide
330944-14-4

1-(4-fluorophenyl)-N-methyl-1H-indole-5-carboxamide

1-(4-fluorophenyl)-N-methyl-3-(1,2,3,6-tetrahydro-4-pyridyl)-1H-indole-5-carboxamide
330944-15-5

1-(4-fluorophenyl)-N-methyl-3-(1,2,3,6-tetrahydro-4-pyridyl)-1H-indole-5-carboxamide

Conditions
ConditionsYield
With trifluoroacetic acid In acetic acid for 1.5h; Heating;100%
5-(aminooxymethyl)-2-fluorobenzonitrile hydrochloride
1002750-73-3

5-(aminooxymethyl)-2-fluorobenzonitrile hydrochloride

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

2-fluoro-5-((piperidin-4-ylideneaminooxy)methyl)benzonitrile
1002750-64-2

2-fluoro-5-((piperidin-4-ylideneaminooxy)methyl)benzonitrile

Conditions
ConditionsYield
With sodium acetate In ethanol at 20℃; for 6h;100%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

4-hydrazinobenzoic acid hydrochloride
24589-77-3, 52455-33-1

4-hydrazinobenzoic acid hydrochloride

2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
929345-60-8

2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane at 17℃; Heating / reflux;100%
With hydrogenchloride In 1,4-dioxane for 17h; Heating / reflux;100%
With hydrogenchloride In 1,4-dioxane for 3h; Reflux;
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

trifluoroacetic anhydride
407-25-0

trifluoroacetic anhydride

1-(trifluoroacetyl)-4-piperidone
65220-86-2

1-(trifluoroacetyl)-4-piperidone

Conditions
ConditionsYield
Stage #1: 4-piperidone hydrochloride With triethylamine In dichloromethane for 0.166667h;
Stage #2: trifluoroacetic anhydride In dichloromethane at 0 - 20℃; for 2h;		100%
With triethylamine In dichloromethane Cooling with ice;100%
With triethylamine In dichloromethane at 0 - 20℃; for 2.16667h;100%
1,3-benzodioxol-5-ylmethyl methanesulfonate
78358-16-4

1,3-benzodioxol-5-ylmethyl methanesulfonate

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-one
865449-49-6

1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-one

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide100%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

2-(trifluoromethyl)phenylhydrazine hydrochloride
3107-34-4

2-(trifluoromethyl)phenylhydrazine hydrochloride

6-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole
773849-01-7

6-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole

Conditions
ConditionsYield
With boron trifluoride diethyl etherate; acetic acid In ethanol for 8h; Fischer indole synthesis;100%
Stage #1: 4-piperidone hydrochloride; 2-(trifluoromethyl)phenylhydrazine hydrochloride With boron trifluoride diethyl etherate In acetic acid at 90℃; for 8h;
Stage #2: With sodium hydroxide In water pH=14;
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

3-phenoxypropyl bromide
588-63-6

3-phenoxypropyl bromide

1-(3-phenoxypropyl)piperidin-4-one
100873-41-4

1-(3-phenoxypropyl)piperidin-4-one

Conditions
ConditionsYield
With potassium carbonate; sodium sulfate; potassium iodide In acetonitrile for 2.5h; Reflux;100%
With potassium carbonate In methanol at 20 - 60℃;
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

1,3-bis-(bromomethyl)benzene
626-15-3

1,3-bis-(bromomethyl)benzene

1,1'-(1,3-phenylenebis(methylene))bis(piperidin-4-one)
1359979-28-4

1,1'-(1,3-phenylenebis(methylene))bis(piperidin-4-one)

Conditions
ConditionsYield
With potassium carbonate In methanol; dichloromethane at 20℃; for 48h;100%
With sodium carbonate In acetonitrile at 60℃; Sonication;72%
1-[2-(methylsulfanyl)phenyl]hydrazine
88965-67-7

1-[2-(methylsulfanyl)phenyl]hydrazine

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

6-(methylsulphide)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
764648-07-9

6-(methylsulphide)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water at 80℃; Fischer indole synthesis;100%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

(2-iodophenyl)hydrazine hydrochloride
60481-34-7

(2-iodophenyl)hydrazine hydrochloride

6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
717843-40-8

6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water Fischer indole synthesis;100%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

2-Amino-4-chlorobenzoic acid
89-77-0

2-Amino-4-chlorobenzoic acid

1-(2-amino-4-chlorobenzoyl)piperidin-4-one
1451261-87-2

1-(2-amino-4-chlorobenzoyl)piperidin-4-one

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h;100%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

4-(methylsulfonyl)phenylhydrazine hydrochloride
17852-67-4

4-(methylsulfonyl)phenylhydrazine hydrochloride

8-methylsulfonyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride

8-methylsulfonyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride

Conditions
ConditionsYield
Stage #1: 4-piperidone hydrochloride; 4-(methylsulfonyl)phenylhydrazine hydrochloride In ethanol at 20℃; for 0.5h;
Stage #2: With boron trifluoride diethyl etherate; acetic acid at 90℃; for 16h;		100%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

4-(methylsulfonyl)phenylhydrazine hydrochloride
17852-67-4

4-(methylsulfonyl)phenylhydrazine hydrochloride

8-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl

8-(methylsulfonyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl

Conditions
ConditionsYield
Stage #1: 4-piperidone hydrochloride; 4-(methylsulfonyl)phenylhydrazine hydrochloride In ethanol at 20℃; for 0.5h; Fischer Indole Synthesis;
Stage #2: With boron trifluoride diethyl etherate; acetic acid at 90℃; for 16h; Fischer Indole Synthesis;		100%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

1-(methylsulfonyl)piperidin-4-one
218780-53-1

1-(methylsulfonyl)piperidin-4-one

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran; water at 20 - 32℃; for 2h;99.7%
With potassium carbonate In chloroform; water at 0 - 20℃; for 73h;87%
With potassium carbonate In chloroform; water at 0 - 20℃; for 73h;87%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

5-({[1-(4-Chloro-phenyl)-methanoyl]-amino}-methyl)-thiophene-2-sulfonyl chloride
166964-34-7

5-({[1-(4-Chloro-phenyl)-methanoyl]-amino}-methyl)-thiophene-2-sulfonyl chloride

4-Chloro-N-({5-[(4-oxopiperidin-1-yl)sulfonyl]thien-2-yl}methyl)benzamide

4-Chloro-N-({5-[(4-oxopiperidin-1-yl)sulfonyl]thien-2-yl}methyl)benzamide

Conditions
ConditionsYield
With sodium hydroxide In chloroform; water for 15h;99.5%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

N-tosyl-4-piperidone
33439-27-9

N-tosyl-4-piperidone

Conditions
ConditionsYield
With potassium carbonate Inert atmosphere;99%
With magnesium(II) perchlorate In chloroform; water at 20℃; for 10h;95%
With potassium carbonate In dichloromethane; water at 20℃; for 16h;95%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

benzene
71-43-2

benzene

4,4-diphenylpiperidine
34273-01-3

4,4-diphenylpiperidine

Conditions
ConditionsYield
With trifluorormethanesulfonic acid at 20℃; for 3h; Substitution;99%
With trifluorormethanesulfonic acid at 20℃; for 24h;
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

4-chlorobenzenesulfonyl chloride
98-60-2

4-chlorobenzenesulfonyl chloride

1-(4-chloro-benzenesulfonyl)-piperidin-4-one
156634-92-3

1-(4-chloro-benzenesulfonyl)-piperidin-4-one

Conditions
ConditionsYield
With potassium carbonate In chloroform; water at 20℃;99%
N-tert-butoxycarbonyl-L-phenylalanine
13734-34-4

N-tert-butoxycarbonyl-L-phenylalanine

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

C19H26N2O4
1198179-29-1

C19H26N2O4

Conditions
ConditionsYield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;99%
3,4-dibromo-1-methyl-2,5-dihydropyrrole-2,5-dione
3005-27-4

3,4-dibromo-1-methyl-2,5-dihydropyrrole-2,5-dione

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

3-bromo-1-methyl-4-(4-oxopiperidin-1-yl)-1H-pyrrole-2,5-dione
1202376-63-3

3-bromo-1-methyl-4-(4-oxopiperidin-1-yl)-1H-pyrrole-2,5-dione

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 2h; Reflux;99%
1-chloro-4-(chloromethyl)-2-methylbenzene
92304-76-2

1-chloro-4-(chloromethyl)-2-methylbenzene

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

1-(4-chloro-3-methyl-benzyl)-piperidin-4-one
1251529-07-3

1-(4-chloro-3-methyl-benzyl)-piperidin-4-one

Conditions
ConditionsYield
With potassium carbonate In tetrahydrofuran; water; N,N-dimethyl-formamide at 50 - 70℃; for 7h; Large scale;99%
With potassium carbonate In tetrahydrofuran; water; N,N-dimethyl-formamide at 70℃; for 7h; Large scale;99%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

N-tert-butoxycarbonyl-O-2,6-dichlorobenzyl-L-tyrosine
40298-71-3

N-tert-butoxycarbonyl-O-2,6-dichlorobenzyl-L-tyrosine

1-[N-tert-butoxycarbonyl-O-(2,6-dichlorobenzyl)-L-tyrosyl]-piperidin-4-one
1070383-27-5

1-[N-tert-butoxycarbonyl-O-(2,6-dichlorobenzyl)-L-tyrosyl]-piperidin-4-one

Conditions
ConditionsYield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃;98.8%
tert-butyl carbamate
4248-19-5

tert-butyl carbamate

4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

N-tert-butyloxycarbonylpiperidin-4-one
79099-07-3

N-tert-butyloxycarbonylpiperidin-4-one

Conditions
ConditionsYield
Stage #1: 4-piperidone hydrochloride With sodium hydroxide In water at 0℃;
Stage #2: tert-butyl carbazate In water for 4h;		98.44%
4-piperidone hydrochloride
41979-39-9

4-piperidone hydrochloride

chloroformic acid ethyl ester
541-41-3

chloroformic acid ethyl ester

N-ethoxycarbonyl-4-piperidone
29976-53-2

N-ethoxycarbonyl-4-piperidone

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 2h;98%
With triethylamine In dichloromethane at 0 - 20℃; for 2h;98%
With sodium hydroxide In diethyl ether; water at 0℃; for 0.166667h;93%

4-Piperidinone,hydrochloride (1:1) Specification

The 4-Piperidinone,hydrochloride (1:1), with the CAS registry number 41979-39-9, is also known as 4-Oxopiperidinium chloride. Its EINECS registry number is 255-602-8. This chemical's molecular formula is C5H10ClNO and molecular weight is 135.045092. Its IUPAC name is called piperidin-4-one hydrochloride.

Physical properties of 4-Piperidinone,hydrochloride (1:1): (1)ACD/LogP: -0.74; (2)ACD/LogD (pH 5.5): -3.68; (3)ACD/LogD (pH 7.4): -2.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1 ; (10)Flash Point: 84.6 °C; (11)Enthalpy of Vaporization: 41.14 kJ/mol; (12)Boiling Point: 175.1 °C at 760 mmHg; (13)Vapour Pressure: 1.17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCCC1=O.Cl
(2)InChI: InChI=1S/C5H9NO.ClH/c7-5-1-3-6-4-2-5;/h6H,1-4H2;1H
(3)InChIKey: GJQNVZVOTKFLIU-UHFFFAOYSA-N

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