ChemSpider 2D Image | (3-Chlorophenyl){3-[(4-{[methyl(2-phenylethyl)amino]methyl}phenoxy)methyl]-1-piperidinyl}methanone | C29H33ClN2O2

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

  • Molecular FormulaC29H33ClN2O2
  • Average mass477.038 Da
  • Monoisotopic mass476.223053 Da
  • ChemSpider ID22224241

More details:






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

(3-Chlorophenyl){3-[(4-{[methyl(2-phenylethyl)amino]methyl}phenoxy)methyl]-1-piperidinyl}methanone [ACD/IUPAC Name]
(3-Chlorophényl){3-[(4-{[méthyl(2-phényléthyl)amino]méthyl}phénoxy)méthyl]-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
(3-Chlorphenyl){3-[(4-{[methyl(2-phenylethyl)amino]methyl}phenoxy)methyl]-1-piperidinyl}methanon [German] [ACD/IUPAC Name]
Methanone, (3-chlorophenyl)[3-[[4-[[methyl(2-phenylethyl)amino]methyl]phenoxy]methyl]-1-piperidinyl]- [ACD/Index Name]
(4-{[1-(3-chlorobenzoyl)-3-piperidinyl]methoxy}benzyl)methyl(2-phenylethyl)amine
[(4-{[1-(3-CHLOROBENZOYL)PIPERIDIN-3-YL]METHOXY}PHENYL)METHYL](METHYL)(2-PHENYLETHYL)AMINE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 622.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.1±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 139.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 12.08
ACD/KOC (pH 5.5): 30.04
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 280.92
ACD/KOC (pH 7.4): 698.31
Polar Surface Area: 33 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 409.7±3.0 cm3

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