ChemSpider 2D Image | (3R,5S)-1-Isobutyl-N-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-piperidinecarboxamide | C26H33F3N2O2

(3R,5S)-1-Isobutyl-N-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-piperidinecarboxamide

  • Molecular FormulaC26H33F3N2O2
  • Average mass462.548 Da
  • Monoisotopic mass462.249420 Da
  • ChemSpider ID62706563

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-1-Isobutyl-N-(2-phenylethyl)-5-{[3-(trifluormethyl)phenoxy]methyl}-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-1-Isobutyl-N-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,5S)-1-Isobutyl-N-(2-phényléthyl)-5-{[3-(trifluorométhyl)phénoxy]méthyl}-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 1-(2-methylpropyl)-N-(2-phenylethyl)-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: 1.1±0.1 g/cm3
Boiling Point: 578.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.8±30.1 °C
Index of Refraction: 1.514
Molar Refractivity: 123.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 22.89
ACD/KOC (pH 5.5): 55.42
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 993.09
ACD/KOC (pH 7.4): 2404.94
Polar Surface Area: 42 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 408.7±3.0 cm3

Click to predict properties on the Chemicalize site


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