ChemSpider 2D Image | Methyl (4S)-4-(4-chlorophenyl)-1-(3,3-diphenylpropyl)-3-piperidinecarboxylate | C28H30ClNO2

Methyl (4S)-4-(4-chlorophenyl)-1-(3,3-diphenylpropyl)-3-piperidinecarboxylate

  • Molecular FormulaC28H30ClNO2
  • Average mass447.996 Da
  • Monoisotopic mass447.196503 Da
  • ChemSpider ID23193430

  • 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-(3,3-diphénylpropyl)-3-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 4-(4-chlorophenyl)-1-(3,3-diphenylpropyl)-, methyl ester, (4S)- [ACD/Index Name]
Methyl (4S)-4-(4-chlorophenyl)-1-(3,3-diphenylpropyl)-3-piperidinecarboxylate [ACD/IUPAC Name]
methyl (4S)-4-(4-chlorophenyl)-1-(3,3-diphenylpropyl)piperidine-3-carboxylate
Methyl-(4S)-4-(4-chlorphenyl)-1-(3,3-diphenylpropyl)-3-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(4-Chloro-phenyl)-1-(3,3-diphenyl-propyl)-piperidine-3-carboxylic acid methyl ester
CHEMBL106024

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

Density: 1.1±0.1 g/cm3
Boiling Point: 567.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.3±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 90.85
ACD/KOC (pH 5.5): 172.42
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 4594.97
ACD/KOC (pH 7.4): 8721.00
Polar Surface Area: 30 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 389.9±3.0 cm3

Click to predict properties on the Chemicalize site


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