ChemSpider 2D Image | (3-Fluorophenyl)[4-(3-{[methyl(2-phenylethyl)amino]methyl}phenoxy)-1-piperidinyl]methanone | C28H31FN2O2

(3-Fluorophenyl)[4-(3-{[methyl(2-phenylethyl)amino]methyl}phenoxy)-1-piperidinyl]methanone

  • Molecular FormulaC28H31FN2O2
  • Average mass446.556 Da
  • Monoisotopic mass446.236969 Da
  • ChemSpider ID22228654

More details:

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

(3-Fluorophenyl)[4-(3-{[methyl(2-phenylethyl)amino]methyl}phenoxy)-1-piperidinyl]methanone [ACD/IUPAC Name]
(3-Fluorophényl)[4-(3-{[méthyl(2-phényléthyl)amino]méthyl}phénoxy)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
(3-Fluorphenyl)[4-(3-{[methyl(2-phenylethyl)amino]methyl}phenoxy)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
Methanone, (3-fluorophenyl)[4-[3-[[methyl(2-phenylethyl)amino]methyl]phenoxy]-1-piperidinyl]- [ACD/Index Name]
(3-{[1-(3-fluorobenzoyl)-4-piperidinyl]oxy}benzyl)methyl(2-phenylethyl)amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.6±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 129.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 3.63
ACD/KOC (pH 5.5): 13.57
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 122.37
ACD/KOC (pH 7.4): 457.17
Polar Surface Area: 33 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 382.0±3.0 cm3

Click to predict properties on the Chemicalize site


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