4-Piperidineacetonitrile,4-cyano-1-(phenylmethyl)- (86945-27-9)

The 1-Benzyl-4-cyanomethylpiperidine-4-carbonitrile, with the CAS registry number 86945-27-9, is also known as 4-Piperidineacetonitrile, 4-cyano-1-(phenylmethyl)-. This chemical's molecular formula is C₁₅H₁₇N₃ and molecular weight is 239.32. Its systematic name is called 1-benzyl-4-(cyanomethyl)piperidine-4-carbonitrile.

Physical properties of 1-Benzyl-4-cyanomethylpiperidine-4-carbonitrile:
(1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.24; (7)ACD/KOC (pH 5.5): 9.46; (8)ACD/KOC (pH 7.4): 94.47; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 70.16 cm³; (13)Molar Volume: 213.5 cm³; (14)Surface Tension: 53 dyne/cm; (15)Density: 1.12 g/cm³; (16)Flash Point: 187.6 °C; (17)Enthalpy of Vaporization: 67.78 kJ/mol; (18)Boiling Point: 423.4 °C at 760 mmHg; (19)Vapour Pressure: 2.23E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC2(CCN(Cc1ccccc1)CC2)CC#N
(2)InChI: InChI=1/C15H17N3/c16-9-6-15(13-17)7-10-18(11-8-15)12-14-4-2-1-3-5-14/h1-5H,6-8,10-12H2
(3)InChIKey: NSYOUQLPFSKISU-UHFFFAOYAD