1H-Indole,3-[2-(4-piperidinyl)ethyl]-, hydrochloride (1:1) (63845-42-1)

The Indalpine hydrochloride, with the cas registry number 63845-42-1, has the systematic name of 3-[2-(piperidin-4-yl)ethyl]-1H-indole. And the molecular formula of the chemical is C₁₅H₂₀N₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.14; (8)ACD/KOC (pH 7.4): 1.34; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 8.17 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 72.49 cm³; (15)Molar Volume: 213.1 cm³; (16)Polarizability: 28.73×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.07 g/cm³; (19)Flash Point: 198.8 °C; (20)Enthalpy of Vaporization: 65.66 kJ/mol; (21)Boiling Point: 405.1 °C at 760 mmHg; (22)Vapour Pressure: 9.01E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c2(c1ccccc1nc2)CCC3CCNCC3
(2)InChI: InChI=1/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
(3)InChIKey: SADQVAVFGNTEOD-UHFFFAOYAG

The toxicity data is as follows: