ChemSpider 2D Image | (3R,5S)-1-(4-Hydroxybenzyl)-N-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-piperidinecarboxamide | C29H31F3N2O3

(3R,5S)-1-(4-Hydroxybenzyl)-N-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-piperidinecarboxamide

  • Molecular FormulaC29H31F3N2O3
  • Average mass512.563 Da
  • Monoisotopic mass512.228699 Da
  • ChemSpider ID29654926

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-1-(4-Hydroxybenzyl)-N-(2-phenylethyl)-5-{[3-(trifluormethyl)phenoxy]methyl}-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-1-(4-Hydroxybenzyl)-N-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,5S)-1-(4-Hydroxybenzyl)-N-(2-phényléthyl)-5-{[3-(trifluorométhyl)phénoxy]méthyl}-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 1-[(4-hydroxyphenyl)methyl]-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: 1.2±0.1 g/cm3
Boiling Point: 667.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 357.5±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 34.36
ACD/KOC (pH 5.5): 92.03
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 1738.67
ACD/KOC (pH 7.4): 4656.02
Polar Surface Area: 62 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 414.5±3.0 cm3

Click to predict properties on the Chemicalize site


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