ChemSpider 2D Image | 1-(4-{4-[(4-Benzyl-1-piperidinyl)methyl]phenoxy}-1-piperidinyl)-2-ethyl-1-butanone | C30H42N2O2

1-(4-{4-[(4-Benzyl-1-piperidinyl)methyl]phenoxy}-1-piperidinyl)-2-ethyl-1-butanone

  • Molecular FormulaC30H42N2O2
  • Average mass462.667 Da
  • Monoisotopic mass462.324615 Da
  • ChemSpider ID23072970

More details:

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

1-(4-{4-[(4-Benzyl-1-piperidinyl)methyl]phenoxy}-1-piperidinyl)-2-ethyl-1-butanon [German] [ACD/IUPAC Name]
1-(4-{4-[(4-Benzyl-1-piperidinyl)methyl]phenoxy}-1-piperidinyl)-2-ethyl-1-butanone [ACD/IUPAC Name]
1-(4-{4-[(4-Benzyl-1-pipéridinyl)méthyl]phénoxy}-1-pipéridinyl)-2-éthyl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 2-ethyl-1-[4-[4-[[4-(phenylmethyl)-1-piperidinyl]methyl]phenoxy]-1-piperidinyl]- [ACD/Index Name]
1-(4-{4-[(4-BENZYLPIPERIDIN-1-YL)METHYL]PHENOXY}PIPERIDIN-1-YL)-2-ETHYLBUTAN-1-ONE
4-benzyl-1-(4-{[1-(2-ethylbutanoyl)-4-piperidinyl]oxy}benzyl)piperidine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 600.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.7±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 16.44
ACD/KOC (pH 5.5): 36.21
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 273.43
ACD/KOC (pH 7.4): 602.31
Polar Surface Area: 33 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 429.3±3.0 cm3

Click to predict properties on the Chemicalize site


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