1-BENZYL-4-CYANO-4-(PHENYLAMINO)PIPERIDINE

The 4-Anilino-1-benzyl-4-cyanopiperidine is an organic compound with the formula C₁₉H₂₁N₃. The IUPAC name of this chemical is 4-anilino-1-benzylpiperidine-4-carbonitrile. With the CAS registry number 968-86-5, it is also named as 4-Piperidinecarbonitrile, 4-(phenylamino)-1-(phenylmethyl)-. The product's categories are Amines; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals.

Physical properties about 4-Anilino-1-benzyl-4-cyanopiperidine are: (1)ACD/LogP: 2.71; (2)ACD/LogD (pH 5.5): 2.27; (3)ACD/LogD (pH 7.4): 2.7; (4)ACD/BCF (pH 5.5): 24.73; (5)ACD/BCF (pH 7.4): 65.71; (6)ACD/KOC (pH 5.5): 260.39; (7)ACD/KOC (pH 7.4): 691.88; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 30.27 Å²; (12)Index of Refraction: 1.62; (13)Molar Refractivity: 89.31 cm³; (14)Molar Volume: 254.2 cm³; (15)Polarizability: 35.4×10^-24cm³; (16)Surface Tension: 53.8 dyne/cm; (17)Density: 1.14 g/cm³; (18)Flash Point: 238.9 °C; (19)Enthalpy of Vaporization: 73.42 kJ/mol; (20)Boiling Point: 471.5 °C at 760 mmHg; (21)Vapour Pressure: 4.64E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-benzyl-piperidin-4-one, aniline and hydrocyanic acid; potassium salt. This reaction solvent reagent H₂O, acetic. The reaction time is 24 hours with reaction temperature of 25 °C. The yield is about 90%.

Uses of 4-Anilino-1-benzyl-4-cyanopiperidine: it can be used to produce 4-anilino-1-benzyl-piperidine-4-carboxylic acid amide  at ambient temperature. It will need reagent conc. H₂SO₄ with reaction time of 48 hours. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC3(Nc1ccccc1)CCN(Cc2ccccc2)CC3
(2)InChI: InChI=1/C19H21N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-15H2
(3)InChIKey: AYYPQRMTCMCFSL-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C19H21N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-15H2
(5)Std. InChIKey: AYYPQRMTCMCFSL-UHFFFAOYSA-N