ChemSpider 2D Image | (3S,4S)-1-[4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid | C26H29FN2O2

(3S,4S)-1-[4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid

  • Molecular FormulaC26H29FN2O2
  • Average mass420.519 Da
  • Monoisotopic mass420.221313 Da
  • ChemSpider ID107450940

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3S,4S)-1-[4-Cyan-4-(4-fluorphenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4S)-1-[4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-1-[4-cyano-4-(4-fluorophényl)cyclohexyl]-3-méthyl-4-phényl-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 310.5±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 117.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 4.69
ACD/KOC (pH 5.5): 20.49
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 20.37
Polar Surface Area: 64 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 341.4±5.0 cm3

Click to predict properties on the Chemicalize site


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