ChemSpider 2D Image | 2-[(4-Benzyl-1-piperidinyl)methyl]-5-[(3,4-dichlorobenzyl)oxy]-1-isobutyl-4(1H)-pyridinone | C29H34Cl2N2O2

2-[(4-Benzyl-1-piperidinyl)methyl]-5-[(3,4-dichlorobenzyl)oxy]-1-isobutyl-4(1H)-pyridinone

  • Molecular FormulaC29H34Cl2N2O2
  • Average mass513.498 Da
  • Monoisotopic mass512.199707 Da
  • ChemSpider ID124004812

More details:

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

2-[(4-Benzyl-1-piperidinyl)methyl]-5-[(3,4-dichlorbenzyl)oxy]-1-isobutyl-4(1H)-pyridinon [German] [ACD/IUPAC Name]
2-[(4-Benzyl-1-piperidinyl)methyl]-5-[(3,4-dichlorobenzyl)oxy]-1-isobutyl-4(1H)-pyridinone [ACD/IUPAC Name]
2-[(4-Benzyl-1-pipéridinyl)méthyl]-5-[(3,4-dichlorobenzyl)oxy]-1-isobutyl-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 5-[(3,4-dichlorophenyl)methoxy]-1-(2-methylpropyl)-2-[[4-(phenylmethyl)-1-piperidinyl]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 624.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.5±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 144.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 59.06
ACD/KOC (pH 5.5): 86.25
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 323.28
ACD/KOC (pH 7.4): 472.07
Polar Surface Area: 33 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 413.9±5.0 cm3

Click to predict properties on the Chemicalize site


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