3-Piperidinecarboxylicacid, 4-(4-chlorophenyl)-1-methyl-, methyl ester, (3R,4S)- (263769-22-8)

The systematic name of (3R,4S)-4-(4-Chlorophenyl)-1-methylpiperidine-3-carboxylic acid methyl ester is methyl (3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate. With the CAS registry number 263769-22-8, it is also named as 3-Piperidinecarboxylicacid, 4-(4-chlorophenyl)-1-methyl-, methyl ester, (3R,4S)-. The product's molecular formula is C₁₄H₁₈ClNO₂ and its molecular weight is 267.75. 

The other characteristics of (3R,4S)-4-(4-Chlorophenyl)-1-methylpiperidine-3-carboxylic acid methyl ester can be summarized as: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.61; (7)ACD/KOC (pH 5.5): 1.54; (8)ACD/KOC (pH 7.4): 75.26; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 71.62 cm³; (15)Molar Volume: 231.2 cm³; (16)Polarizability: 28.39×10^-24cm³; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.157 g/cm³; (19)Flash Point: 161.5 °C; (20)Enthalpy of Vaporization: 58.74 kJ/mol; (21)Boiling Point: 343.5 °C at 760 mmHg; (22)Vapour Pressure: 7.01E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:Clc1ccc(cc1)[C@@H]2[C@@H](C(=O)OC)CN(C)CC2
InChI:InChI=1/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m1/s1
InChIKey:GDFVYUDIAQQDTA-OLZOCXBDBP
Std. InChI:InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m1/s1
Std. InChIKey:GDFVYUDIAQQDTA-OLZOCXBDSA-N