ChemSpider 2D Image | 1-{[4-(Benzyloxy)-3-methoxyphenyl](2,4-dichlorophenyl)methyl}-4-piperidinecarboxylic acid | C27H27Cl2NO4

1-{[4-(Benzyloxy)-3-methoxyphenyl](2,4-dichlorophenyl)methyl}-4-piperidinecarboxylic acid

  • Molecular FormulaC27H27Cl2NO4
  • Average mass500.414 Da
  • Monoisotopic mass499.131714 Da
  • ChemSpider ID2642706

More details:

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

1-{[4-(Benzyloxy)-3-methoxyphenyl](2,4-dichlorophenyl)methyl}-4-piperidinecarboxylic acid [ACD/IUPAC Name]
1-{[4-(Benzyloxy)-3-methoxyphenyl](2,4-dichlorphenyl)methyl}-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(2,4-dichlorophenyl)[3-methoxy-4-(phenylmethoxy)phenyl]methyl]- [ACD/Index Name]
Acide 1-{[4-(benzyloxy)-3-méthoxyphényl](2,4-dichlorophényl)méthyl}-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 624.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 331.5±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 39.27
ACD/KOC (pH 5.5): 100.78
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 30.05
ACD/KOC (pH 7.4): 77.10
Polar Surface Area: 59 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 384.5±3.0 cm3

Click to predict properties on the Chemicalize site


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