ChemSpider 2D Image | Methyl (4S)-4-(4-chlorophenyl)-1-methyl-3-piperidinecarboxylate | C14H18ClNO2

Methyl (4S)-4-(4-chlorophenyl)-1-methyl-3-piperidinecarboxylate

  • Molecular FormulaC14H18ClNO2
  • Average mass267.751 Da
  • Monoisotopic mass267.102600 Da
  • ChemSpider ID23118220

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4S)-4-(4-Chlorophényl)-1-méthyl-3-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 4-(4-chlorophenyl)-1-methyl-, methyl ester, (4S)- [ACD/Index Name]
Methyl (4S)-4-(4-chlorophenyl)-1-methyl-3-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-(4S)-4-(4-chlorphenyl)-1-methyl-3-piperidincarboxylat [German] [ACD/IUPAC Name]
(S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester
4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester
CHEMBL19965
methyl (4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 343.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 161.5±27.9 °C
Index of Refraction: 1.532
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.63
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 26.35
ACD/KOC (pH 7.4): 265.71
Polar Surface Area: 30 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 231.3±3.0 cm3

Click to predict properties on the Chemicalize site


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