ChemSpider 2D Image | (4R)-1-[4-(4-Fluorophenyl)-4-oxobutyl]-3-methyl-4-phenyl-4-piperidinyl propionate | C25H30FNO3

(4R)-1-[4-(4-Fluorophenyl)-4-oxobutyl]-3-methyl-4-phenyl-4-piperidinyl propionate

  • Molecular FormulaC25H30FNO3
  • Average mass411.509 Da
  • Monoisotopic mass411.220978 Da
  • ChemSpider ID23152473

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-[4-(4-Fluorophenyl)-4-oxobutyl]-3-methyl-4-phenyl-4-piperidinyl propionate [ACD/IUPAC Name]
(4R)-1-[4-(4-Fluorphenyl)-4-oxobutyl]-3-methyl-4-phenyl-4-piperidinylpropionat [German] [ACD/IUPAC Name]
1-Butanone, 1-(4-fluorophenyl)-4-[(4R)-3-methyl-4-(1-oxopropoxy)-4-phenyl-1-piperidinyl]- [ACD/Index Name]
Propionate de (4R)-1-[4-(4-fluorophényl)-4-oxobutyl]-3-méthyl-4-phényl-4-pipéridinyle [French] [ACD/IUPAC Name]
(3R,4R)-1-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-4-phenylpiperidin-4-yl propanoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL418289/
Propionic acid 1-[4-(4-fluoro-phenyl)-4-oxo-butyl]-3-methyl-4-phenyl-piperidin-4-yl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.9±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 115.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 19.07
ACD/KOC (pH 5.5): 79.09
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 789.84
ACD/KOC (pH 7.4): 3276.22
Polar Surface Area: 47 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 355.1±5.0 cm3

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