ChemSpider 2D Image | 2-({3-[(Dimethylamino)methyl]-4-biphenylyl}oxy)-1-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}ethanone | C29H31F3N2O3

2-({3-[(Dimethylamino)methyl]-4-biphenylyl}oxy)-1-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}ethanone

  • Molecular FormulaC29H31F3N2O3
  • Average mass512.563 Da
  • Monoisotopic mass512.228699 Da
  • ChemSpider ID22140993

More details:

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

2-({3-[(Dimethylamino)methyl]-4-biphenylyl}oxy)-1-{4-hydroxy-4-[3-(trifluormethyl)phenyl]-1-piperidinyl}ethanon [German] [ACD/IUPAC Name]
2-({3-[(Dimethylamino)methyl]-4-biphenylyl}oxy)-1-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}ethanone [ACD/IUPAC Name]
2-({3-[(Diméthylamino)méthyl]-4-biphénylyl}oxy)-1-{4-hydroxy-4-[3-(trifluorométhyl)phényl]-1-pipéridinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[[3-[(dimethylamino)methyl][1,1'-biphenyl]-4-yl]oxy]-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]- [ACD/Index Name]
1-[({3-[(dimethylamino)methyl]-4-biphenylyl}oxy)acetyl]-4-[3-(trifluoromethyl)phenyl]-4-piperidinol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.6±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 2.05
ACD/KOC (pH 5.5): 10.28
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 95.24
ACD/KOC (pH 7.4): 477.08
Polar Surface Area: 53 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 412.1±3.0 cm3

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