ChemSpider 2D Image | 3-{[(2-Cyclopentylethyl)amino]methyl}-1-(2-fluoro-5-methoxybenzyl)-3-hydroxy-2-piperidinone | C21H31FN2O3

3-{[(2-Cyclopentylethyl)amino]methyl}-1-(2-fluoro-5-methoxybenzyl)-3-hydroxy-2-piperidinone

  • Molecular FormulaC21H31FN2O3
  • Average mass378.481 Da
  • Monoisotopic mass378.231873 Da
  • ChemSpider ID29636245

More details:

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

2-Piperidinone, 3-[[(2-cyclopentylethyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy- [ACD/Index Name]
3-{[(2-Cyclopentylethyl)amino]methyl}-1-(2-fluor-5-methoxybenzyl)-3-hydroxy-2-piperidinon [German] [ACD/IUPAC Name]
3-{[(2-Cyclopentylethyl)amino]methyl}-1-(2-fluoro-5-methoxybenzyl)-3-hydroxy-2-piperidinone [ACD/IUPAC Name]
3-{[(2-Cyclopentyléthyl)amino]méthyl}-1-(2-fluoro-5-méthoxybenzyl)-3-hydroxy-2-pipéridinone [French] [ACD/IUPAC Name]
3-{[(2-cyclopentylethyl)amino]methyl}-1-(2-fluoro-5-methoxybenzyl)-3-hydroxypiperidin-2-one
3-{[(2-CYCLOPENTYLETHYL)AMINO]METHYL}-1-[(2-FLUORO-5-METHOXYPHENYL)METHYL]-3-HYDROXYPIPERIDIN-2-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.4±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 11.60
Polar Surface Area: 62 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 323.6±3.0 cm3

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