ChemSpider 2D Image | Ethyl 3-(3-phenylpropyl)-1'-(3-pyridinylmethyl)-1,4'-bipiperidine-3-carboxylate | C28H39N3O2

Ethyl 3-(3-phenylpropyl)-1'-(3-pyridinylmethyl)-1,4'-bipiperidine-3-carboxylate

  • Molecular FormulaC28H39N3O2
  • Average mass449.628 Da
  • Monoisotopic mass449.304230 Da
  • ChemSpider ID22185288

More details:

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

[1,4'-Bipiperidine]-3-carboxylic acid, 3-(3-phenylpropyl)-1'-(3-pyridinylmethyl)-, ethyl ester [ACD/Index Name]
3-(3-Phénylpropyl)-1'-(3-pyridinylméthyl)-1,4'-bipipéridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(3-phenylpropyl)-1'-(3-pyridinylmethyl)-1,4'-bipiperidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-3-(3-phenylpropyl)-1'-(3-pyridinylmethyl)-1,4'-bipiperidin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 9.27
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 303.49
ACD/KOC (pH 7.4): 1042.82
Polar Surface Area: 46 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 407.5±3.0 cm3

Click to predict properties on the Chemicalize site


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