1H-Indole,5-chloro-3-(1-methyl-4-piperidinyl)- (301856-30-4)

The 5-Chloro-3-(1-methylpiperidin-4-yl)-1H-indole, with the CAS registry number 301856-30-4, is also called 5-chloro-3-(1-methyl-4-piperidinyl)indole. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₄H₁₇ClN₂.

The characteristics of 5-Chloro-3-(1-methylpiperidin-4-yl)-1H-indole are as followings: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.02; (8)ACD/KOC (pH 7.4): 7.58; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 72.94 cm³; (15)Molar Volume: 206 cm³; (16)Polarizability: 28.91×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.207 g/cm³; (19)Flash Point: 197.8 °C; (20)Enthalpy of Vaporization: 65.47 kJ/mol; (21)Boiling Point: 403.4 °C at 760 mmHg; (22)Vapour Pressure: 1.02E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc3ccc1c(c(cn1)C2CCN(C)CC2)c3
(2)InChI: InChI=1/C14H17ClN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-10,16H,4-7H2,1H3
(3)InChIKey: UVGVFOXMUYGAIA-UHFFFAOYAZ