4-(Acetylamino)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester (182621-52-9)

The 4-(Acetylamino)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester, with the CAS registry number 182621-52-9, has the systematic name of tert-butyl 4-acetamido-4-phenyl-piperidine-1-carboxylate. And the molecular formula of the chemical is C₁₈H₂₆N₂O₃.

The characteristics of 4-(Acetylamino)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester are as followings: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.083; (4)ACD/LogD (pH 7.4): 2.083; (5)ACD/BCF (pH 5.5): 22.555; (6)ACD/BCF (pH 7.4): 22.555; (7)ACD/KOC (pH 5.5): 323.797; (8)ACD/KOC (pH 7.4): 323.797; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.64 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 89.797 cm³; (15)Molar Volume: 282.923 cm³; (16)Polarizability: 35.598×10^-24cm³; (17)Surface Tension: 45.002 dyne/cm; (18)Density: 1.125 g/cm³; (19)Flash Point: 248.261 °C; (20)Enthalpy of Vaporization: 75.268 kJ/mol; (21)Boiling Point: 486.887 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(=O)NC1(CCN(CC1)C(=O)OC(C)(C)C)c2ccccc2
(2)InChI: InChI=1/C18H26N2O3/c1-14(21)19-18(15-8-6-5-7-9-15)10-12-20(13-11-18)16(22)23-17(2,3)4/h5-9H,10-13H2,1-4H3,(H,19,21)
(3)InChIKey: DAWHOSORSVGVSH-UHFFFAOYAP