ChemSpider 2D Image | 1-[4-(3-{[Methyl(5-quinolinylmethyl)amino]methyl}phenoxy)-1-piperidinyl]-2-[3-(trifluoromethyl)phenyl]ethanone | C32H32F3N3O2

1-[4-(3-{[Methyl(5-quinolinylmethyl)amino]methyl}phenoxy)-1-piperidinyl]-2-[3-(trifluoromethyl)phenyl]ethanone

  • Molecular FormulaC32H32F3N3O2
  • Average mass547.611 Da
  • Monoisotopic mass547.244690 Da
  • ChemSpider ID23059240

More details:

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

1-[4-(3-{[(5-Chinolinylmethyl)(methyl)amino]methyl}phenoxy)-1-piperidinyl]-2-[3-(trifluormethyl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[4-(3-{[Méthyl(5-quinoléinylméthyl)amino]méthyl}phénoxy)-1-pipéridinyl]-2-[3-(trifluorométhyl)phényl]éthanone [French] [ACD/IUPAC Name]
1-[4-(3-{[Methyl(5-quinolinylmethyl)amino]methyl}phenoxy)-1-piperidinyl]-2-[3-(trifluoromethyl)phenyl]ethanone [ACD/IUPAC Name]
Ethanone, 1-[4-[3-[[methyl(5-quinolinylmethyl)amino]methyl]phenoxy]-1-piperidinyl]-2-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
N-methyl-1-(5-quinolinyl)-N-{3-[(1-{[3-(trifluoromethyl)phenyl]acetyl}-4-piperidinyl)oxy]benzyl}methanamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 657.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.4±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 149.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 182.58
ACD/KOC (pH 5.5): 457.44
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6153.74
ACD/KOC (pH 7.4): 15417.50
Polar Surface Area: 46 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 437.1±3.0 cm3

Click to predict properties on the Chemicalize site


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