ChemSpider 2D Image | 2-Ethyl-1-[3-({4-[(4-phenyl-1-piperidinyl)methyl]phenoxy}methyl)-1-piperidinyl]-1-butanone | C30H42N2O2

2-Ethyl-1-[3-({4-[(4-phenyl-1-piperidinyl)methyl]phenoxy}methyl)-1-piperidinyl]-1-butanone

  • Molecular FormulaC30H42N2O2
  • Average mass462.667 Da
  • Monoisotopic mass462.324615 Da
  • ChemSpider ID22144050

More details:

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

1-Butanone, 2-ethyl-1-[3-[[4-[(4-phenyl-1-piperidinyl)methyl]phenoxy]methyl]-1-piperidinyl]- [ACD/Index Name]
2-Ethyl-1-[3-({4-[(4-phenyl-1-piperidinyl)methyl]phenoxy}methyl)-1-piperidinyl]-1-butanon [German] [ACD/IUPAC Name]
2-Ethyl-1-[3-({4-[(4-phenyl-1-piperidinyl)methyl]phenoxy}methyl)-1-piperidinyl]-1-butanone [ACD/IUPAC Name]
2-Éthyl-1-[3-({4-[(4-phényl-1-pipéridinyl)méthyl]phénoxy}méthyl)-1-pipéridinyl]-1-butanone [French] [ACD/IUPAC Name]
1-(2-ethylbutanoyl)-3-({4-[(4-phenyl-1-piperidinyl)methyl]phenoxy}methyl)piperidine
2-ETHYL-1-(3-{4-[(4-PHENYLPIPERIDIN-1-YL)METHYL]PHENOXYMETHYL}PIPERIDIN-1-YL)BUTAN-1-ONE
2-ETHYL-1-[3-({4-[(4-PHENYLPIPERIDIN-1-YL)METHYL]PHENOXY}METHYL)PIPERIDIN-1-YL]BUTAN-1-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 604.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.5±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 26.29
ACD/KOC (pH 5.5): 61.18
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 1139.95
ACD/KOC (pH 7.4): 2652.64
Polar Surface Area: 33 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 435.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement