4-Anilino-1-benzyl-4-piperidinecarboxylic acid

The 4-Piperidinecarboxylicacid, 4-(phenylamino)-1-(phenylmethyl)-, with the CAS registry number 85098-64-2, is also known as 4-Anilino-1-benzylpiperidine-4-carboxylic acid. It belongs to the product categories of Amines; Aromatics; Heterocycles; Intermediates Fine Chemicals; Pharmaceuticals. Its EINECS number is 285-415-7. This chemical's molecular formula is C₁₉H₂₂N₂O₂ and molecular weight is 310.39. What's more, its systematic name is 1-benzyl-4-(phenylamino)piperidine-4-carboxylic acid. It is used as a piperidine derivative as potential analgesic agent.

Physical properties of 4-Piperidinecarboxylicacid, 4-(phenylamino)-1-(phenylmethyl)- are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.74; (8)ACD/KOC (pH 7.4): 2.3; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 91.03 cm³; (15)Molar Volume: 251.4 cm³; (16)Polarizability: 36.08×10^-24cm³; (17)Surface Tension: 60.5 dyne/cm; (18)Density: 1.234 g/cm³; (19)Flash Point: 253.5 °C; (20)Enthalpy of Vaporization: 80.37 kJ/mol; (21)Boiling Point: 495.6 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-anilino-1-benzyl-piperidine-4-carboxylic acid amide by heating. This reaction will need reagent KOH and solvent ethane-1,2-diol with the reaction time of 15 hours. The yield is about 79%.

Uses of 4-Piperidinecarboxylicacid, 4-(phenylamino)-1-(phenylmethyl)-: it can be used to produce (4-anilino-1-benzyl-piperidin-4-yl)-methanol. It will need reagent sodium dihydridobis(2-methoxyethoxo)aluminate and solvent benzene with the reaction time of 2 hours. The yield is about 54%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C3(Nc1ccccc1)CCN(Cc2ccccc2)CC3
(2)Std. InChI: InChI=1S/C19H22N2O2/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2,(H,22,23)
(3)Std. InChIKey: YFSCBWDAVTYIMM-UHFFFAOYSA-N