ChemSpider 2D Image | Ethyl 3-[(2E)-3-phenyl-2-propen-1-yl]-1'-(3-pyridinylmethyl)-1,4'-bipiperidine-3-carboxylate | C28H37N3O2

Ethyl 3-[(2E)-3-phenyl-2-propen-1-yl]-1'-(3-pyridinylmethyl)-1,4'-bipiperidine-3-carboxylate

  • Molecular FormulaC28H37N3O2
  • Average mass447.612 Da
  • Monoisotopic mass447.288574 Da
  • ChemSpider ID23040300

  • Double-bond stereo - Double-bond stereo

More details:

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

[1,4'-Bipiperidine]-3-carboxylic acid, 3-[(2E)-3-phenyl-2-propen-1-yl]-1'-(3-pyridinylmethyl)-, ethyl ester [ACD/Index Name]
3-[(2E)-3-Phényl-2-propén-1-yl]-1'-(3-pyridinylméthyl)-1,4'-bipipéridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[(2E)-3-phenyl-2-propen-1-yl]-1'-(3-pyridinylmethyl)-1,4'-bipiperidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-3-[(2E)-3-phenyl-2-propen-1-yl]-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: 562.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.0±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 134.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 5.20
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 127.47
ACD/KOC (pH 7.4): 578.63
Polar Surface Area: 46 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 399.2±3.0 cm3

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