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3-Piperidinol,1-(1H-indol-3-ylmethyl)- (331976-99-9)

Identification
Name:3-Piperidinol,1-(1H-indol-3-ylmethyl)-
Synonyms:1-(1H-indol-3-ylmethyl)piperidin-3-ol;3-piperidinol, 1-(1H-indol-3-ylmethyl)-;
CAS:331976-99-9
Molecular Formula: C14H18N2O
Molecular Weight: 230.31
InChI: InChI=1/C14H18N2O/c17-12-4-3-7-16(10-12)9-11-8-15-14-6-2-1-5-13(11)14/h1-2,5-6,8,12,15,17H,3-4,7,9-10H2
Molecular Structure: (C14H18N2O) 1-(1H-indol-3-ylmethyl)piperidin-3-ol;3-piperidinol, 1-(1H-indol-3-ylmethyl)-;
Properties
Density:1.243 g/cm3
Refractive index:1.675
Specification:

The 1-(1H-Indol-3-ylmethyl)-3-piperidinol, with the CAS registry number 331976-99-9, has the systematic name of 1-(1H-indol-3-ylmethyl)piperidin-3-ol. And the molecular formula of the chemical is C14H18N2O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 39.26 Å2; (7)Index of Refraction: 1.675; (8)Molar Refractivity: 69.65 cm3; (9)Molar Volume: 185.2 cm3; (10)Polarizability: 27.61×10-24cm3; (11)Surface Tension: 63.1 dyne/cm; (12)Density: 1.243 g/cm3; (13)Flash Point: 206.1 °C; (14)Enthalpy of Vaporization: 70.7 kJ/mol; (15)Boiling Point: 417.3 °C at 760 mmHg; (16)Vapour Pressure: 1.04E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc2c(c1)c(c[nH]2)CN3CCCC(C3)O
(2)InChI: InChI=1/C14H18N2O/c17-12-4-3-7-16(10-12)9-11-8-15-14-6-2-1-5-13(11)14/h1-2,5-6,8,12,15,17H,3-4,7,9-10H2
(3)InChIKey: VWPCDDTXLWVHRD-UHFFFAOYAU

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