ChemSpider 2D Image | (2R)-2-(4-{[4-(3,4-Dichlorophenoxy)-1-piperidinyl]methyl}-1-piperidinyl)-3-phenylpropanoic acid | C26H32Cl2N2O3

(2R)-2-(4-{[4-(3,4-Dichlorophenoxy)-1-piperidinyl]methyl}-1-piperidinyl)-3-phenylpropanoic acid

  • Molecular FormulaC26H32Cl2N2O3
  • Average mass491.450 Da
  • Monoisotopic mass490.178986 Da
  • ChemSpider ID28663495

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(4-{[4-(3,4-Dichlorophenoxy)-1-piperidinyl]methyl}-1-piperidinyl)-3-phenylpropanoic acid [ACD/IUPAC Name]
(2R)-2-(4-{[4-(3,4-Dichlorphenoxy)-1-piperidinyl]methyl}-1-piperidinyl)-3-phenylpropansäure [German] [ACD/IUPAC Name]
1-Piperidineacetic acid, 4-[[4-(3,4-dichlorophenoxy)-1-piperidinyl]methyl]-α-(phenylmethyl)-, (αR)- [ACD/Index Name]
Acide (2R)-2-(4-{[4-(3,4-dichlorophénoxy)-1-pipéridinyl]méthyl}-1-pipéridinyl)-3-phénylpropanoïque [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: 607.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.2±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 5.43
ACD/KOC (pH 5.5): 11.99
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 19.68
ACD/KOC (pH 7.4): 43.49
Polar Surface Area: 53 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 389.5±3.0 cm3

Click to predict properties on the Chemicalize site


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