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

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

  • Molecular FormulaC21H31FN2O3
  • Average mass378.481 Da
  • Monoisotopic mass378.231873 Da
  • ChemSpider ID22249693

More details:

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

2-Piperidinone, 3-[(cyclohexylmethylamino)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy- [ACD/Index Name]
3-{[Cyclohexyl(methyl)amino]methyl}-1-(2-fluor-5-methoxybenzyl)-3-hydroxy-2-piperidinon [German] [ACD/IUPAC Name]
3-{[Cyclohexyl(methyl)amino]methyl}-1-(2-fluoro-5-methoxybenzyl)-3-hydroxy-2-piperidinone [ACD/IUPAC Name]
3-{[Cyclohexyl(méthyl)amino]méthyl}-1-(2-fluoro-5-méthoxybenzyl)-3-hydroxy-2-pipéridinone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 557.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 291.0±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 17.32
Polar Surface Area: 53 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 316.2±5.0 cm3

Click to predict properties on the Chemicalize site


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