ChemSpider 2D Image | 1-(2-Fluoro-5-methoxybenzyl)-3-hydroxy-3-{[(3-methylbutyl)amino]methyl}-2-piperidinone | C19H29FN2O3

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

  • Molecular FormulaC19H29FN2O3
  • Average mass352.444 Da
  • Monoisotopic mass352.216217 Da
  • ChemSpider ID29612599

More details:

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

1-(2-Fluor-5-methoxybenzyl)-3-hydroxy-3-{[(3-methylbutyl)amino]methyl}-2-piperidinon [German] [ACD/IUPAC Name]
1-(2-Fluoro-5-methoxybenzyl)-3-hydroxy-3-{[(3-methylbutyl)amino]methyl}-2-piperidinone [ACD/IUPAC Name]
1-(2-Fluoro-5-méthoxybenzyl)-3-hydroxy-3-{[(3-méthylbutyl)amino]méthyl}-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[(3-methylbutyl)amino]methyl]- [ACD/Index Name]
1-(2-fluoro-5-methoxybenzyl)-3-hydroxy-3-{[(3-methylbutyl)amino]methyl}piperidin-2-one
1-[(2-FLUORO-5-METHOXYPHENYL)METHYL]-3-HYDROXY-3-{[(3-METHYLBUTYL)AMINO]METHYL}PIPERIDIN-2-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 520.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 268.4±30.1 °C
Index of Refraction: 1.531
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.51
Polar Surface Area: 62 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 308.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement