ChemSpider 2D Image | (4S)-1,2-Dimethyl-4-phenyl-4-piperidinyl propionate | C16H23NO2

(4S)-1,2-Dimethyl-4-phenyl-4-piperidinyl propionate

  • Molecular FormulaC16H23NO2
  • Average mass261.359 Da
  • Monoisotopic mass261.172882 Da
  • ChemSpider ID23117343

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-1,2-Dimethyl-4-phenyl-4-piperidinyl propionate [ACD/IUPAC Name]
(4S)-1,2-Dimethyl-4-phenyl-4-piperidinylpropionat [German] [ACD/IUPAC Name]
4-Piperidinol, 1,2-dimethyl-4-phenyl-, propanoate (ester), (4S)- [ACD/Index Name]
Propionate de (4S)-1,2-diméthyl-4-phényl-4-pipéridinyle [French] [ACD/IUPAC Name]
(+)Propionic acid 1,2-dimethyl-4-phenyl-piperidin-4-yl ester
(4S)-1,2-dimethyl-4-phenylpiperidin-4-yl propanoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL273784/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 338.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 110.3±18.8 °C
Index of Refraction: 1.536
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.34
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 26.53
ACD/KOC (pH 7.4): 279.72
Polar Surface Area: 30 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 246.1±5.0 cm3

Click to predict properties on the Chemicalize site


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