3-(N-Methylpiperidinyl)indole supplier

Name
3-(1-METHYL-4-PIPERIDINYL)INDOLE
EINECS
CAS No. 17403-07-5
Article Data5
CAS DataBase
Density 1.103g/cm³
Solubility
Melting Point
Formula C₁₄H₁₈N₂
Boiling Point 373.4°Cat760mmHg
Molecular Weight 214.31
Flash Point 179.6°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole,3-(1-methyl-4-piperidyl)- (8CI);3-(1-Methyl-4-piperidinyl)-1H-indole;
PSA 19.03000
LogP 2.91500

3-(N-Methylpiperidinyl)indole Specification

The 3-(N-Methylpiperidinyl)indole, with cas registry number of 17403-07-5, has the systematic name of 3-(1-methylpiperidin-4-yl)-1H-indole. The 3-(N-Methylpiperidinyl)indole belongs to the following product categorie: pharmacetical. It is for research use only.

Physical properties about this chemical are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.75; (4)ACD/LogD (pH 7.4): -0.07; (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): 1.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 8.17 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 68.05 cm³; (15)Molar Volume: 194.1 cm³; (16)Polarizability: 26.97×10^-24cm³; (17)Surface Tension: 45.8 dyne/cm; (18)Enthalpy of Vaporization: 62.06 kJ/mol; (19)Vapour Pressure: 9E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:c2c(c1ccccc1n2)C3CCN(C)CC3;
(2)InChI:InChI=1/C14H18N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3;
(3)InChIKey:KYSCKYJNMTUJPA-UHFFFAOYAC;
(4)Std. InChI:InChI=1S/C14H18N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3;
(5)Std. InChIKey:KYSCKYJNMTUJPA-UHFFFAOYSA-N.

Product Name

3-(1-METHYL-4-PIPERIDINYL)INDOLE

3-(N-Methylpiperidinyl)indole Specification

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