ChemSpider 2D Image | (3R,5S)-1-Benzyl-N-cyclohexyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-piperidinecarboxamide | C27H33F3N2O2

(3R,5S)-1-Benzyl-N-cyclohexyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-piperidinecarboxamide

  • Molecular FormulaC27H33F3N2O2
  • Average mass474.558 Da
  • Monoisotopic mass474.249420 Da
  • ChemSpider ID29421943

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-1-Benzyl-N-cyclohexyl-5-{[3-(trifluormethyl)phenoxy]methyl}-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-1-Benzyl-N-cyclohexyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,5S)-1-Benzyl-N-cyclohexyl-5-{[3-(trifluorométhyl)phénoxy]méthyl}-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, N-cyclohexyl-1-(phenylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-, (3R,5S)- [ACD/Index 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: 591.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.6±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 49.39
ACD/KOC (pH 5.5): 145.30
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2238.36
ACD/KOC (pH 7.4): 6585.31
Polar Surface Area: 42 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 390.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement