ChemSpider 2D Image | Methyl (3S,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-piperidinecarboxylate | C14H17Cl2NO2

Methyl (3S,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-piperidinecarboxylate

  • Molecular FormulaC14H17Cl2NO2
  • Average mass302.196 Da
  • Monoisotopic mass301.063629 Da
  • ChemSpider ID23291043

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-4-(3,4-Dichlorophényl)-1-méthyl-3-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 4-(3,4-dichlorophenyl)-1-methyl-, methyl ester, (3S,4S)- [ACD/Index Name]
Methyl (3S,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-piperidinecarboxylate [ACD/IUPAC Name]
methyl (3S,4S)-4-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxylate
Methyl-(3S,4S)-4-(3,4-dichlorphenyl)-1-methyl-3-piperidincarboxylat [German] [ACD/IUPAC Name]
(3S,4S)-methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxylate
CHEMBL397490
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL397490/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 369.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 177.1±27.9 °C
Index of Refraction: 1.542
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 3.61
ACD/KOC (pH 5.5): 27.09
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 122.69
ACD/KOC (pH 7.4): 921.98
Polar Surface Area: 30 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 243.2±3.0 cm3

Click to predict properties on the Chemicalize site


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