4-Piperidinol,1-methyl-, 4-acetate supplier

Name
1-methyl-4-piperidyl acetate
EINECS
CAS No. 6659-34-3
Article Data5
CAS DataBase
Density 1.02 g/cm³
Solubility
Melting Point
Formula C₈H₁₅NO₂
Boiling Point 190 °C at 760 mmHg
Molecular Weight 157.213
Flash Point 68 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Piperidinol,1-methyl-, acetate (7CI);4-Piperidinol, 1-methyl-, acetate (ester) (8CI,9CI);N-methylpiperidin-4-yl [1-13C]acetate;
PSA 29.54000
LogP 0.58160

4-Piperidinol,1-methyl-, 4-acetate Specification

The 4-Piperidinol,1-methyl-, 4-acetate, with the CAS registry number 6659-34-3, is also known as N-methyl-4-piperidyl acetate. Its molecular formula is C₈H₁₅NO₂and its molecular weight is 157.21. Additionally, its IUPAC name is (1-methylpiperidin-4-yl) acetate and its classification code is Drug / Therapeutic Agent. What's more, it's radiotracer for acetylcholinesterase.

Other characteristics of the 4-Piperidinol,1-methyl-, 4-acetate can be summarised as followings: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.42; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.95; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 42.75 cm³; (15)Molar Volume: 152.9 cm³; (16)Polarizability: 16.94×10^-24cm³; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.02 g/cm³; (19)Flash Point: 68 °C Enthalpy of Vaporization: 42.62 kJ/mol; (20)Boiling Point: 190 °C at 760 mmHg Vapour Pressure: 0.553 mmHg at 25°C.

Production method of the 4-Piperidinol,1-methyl-, 4-acetate: It could be obtained by the reactants of 1-methyl-piperidin-4-ol and acetyl chloride. The yield is 20 %. In addition, this reaction should be taken for 4 hours at the temperature of 100 °C.

The 4-Piperidinol,1-methyl-, 4-acetate could be obtained by the reactants of 1-methyl-piperidin-4-ol and acetyl chloride

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC1CCN(C)CC1)C
2.InChI: InChI=1/C8H15NO2/c1-7(10)11-8-3-5-9(2)6-4-8/h8H,3-6H2,1-2H3
3.InChIKey: RWPYOAUYOSFJQV-UHFFFAOYAC

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	> 2gm/kg (2000mg/kg)		Pharmaceutical Chemistry Journal Vol. 19, Pg. 252, 1985.

Product Name

1-methyl-4-piperidyl acetate

4-Piperidinol,1-methyl-, 4-acetate Specification

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