4-Piperidinol,4-phenyl-1-(phenylmethyl)- (63843-83-4)

The 1-Benzyl-4-phenylpiperidin-4-ol, with CAS registry number 63843-83-4, has the systematic name of 1-benzyl-4-phenylpiperidin-4-ol. And its IUPAC name is the same one. Besides this, it is also called 4-Piperidinol, 4-phenyl-1-(phenylmethyl)-. What's more, its EINECS is 264-512-8.

Physical properties about this chemical are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.39; (7)ACD/KOC (pH 5.5): 1.95; (8)ACD/KOC (pH 7.4): 98.39; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 81.73 cm³; (15)Molar Volume: 235.4 cm³; (16)Polarizability: 32.4×10^-24cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Enthalpy of Vaporization: 71.69 kJ/mol; (19)Vapour Pressure: 5.39E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by phenyllithium and 1-benzyl-piperidin-4-one. This reaction will need reagent diethyl ether.

Uses of 1-Benzyl-4-phenylpiperidin-4-ol: it can be used to produce 4-phenyl-piperidin-4-ol. This reaction will need reagent H₂ and solvent ethanol. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)SMILES: OC3(c1ccccc1)CCN(Cc2ccccc2)CC3
(2)InChI: InChI=1/C18H21NO/c20-18(17-9-5-2-6-10-17)11-13-19(14-12-18)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2
(3)InChIKey: FCLMXEAPEVBCKQ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C18H21NO/c20-18(17-9-5-2-6-10-17)11-13-19(14-12-18)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2
(5)Std. InChIKey: FCLMXEAPEVBCKQ-UHFFFAOYSA-N

The toxicity data is as follows: