ChemSpider 2D Image | 1-(2,3-Difluorobenzyl)-3-({[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino}methyl)-3-hydroxy-2-piperidinone | C20H26F2N4O2

1-(2,3-Difluorobenzyl)-3-({[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino}methyl)-3-hydroxy-2-piperidinone

  • Molecular FormulaC20H26F2N4O2
  • Average mass392.443 Da
  • Monoisotopic mass392.202393 Da
  • ChemSpider ID22756732

More details:

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

1-(2,3-Difluorbenzyl)-3-({[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino}methyl)-3-hydroxy-2-piperidinon [German] [ACD/IUPAC Name]
1-(2,3-Difluorobenzyl)-3-({[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino}methyl)-3-hydroxy-2-piperidinone [ACD/IUPAC Name]
1-(2,3-Difluorobenzyl)-3-({[(3,5-diméthyl-1H-pyrazol-4-yl)méthyl](méthyl)amino}méthyl)-3-hydroxy-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-[(2,3-difluorophenyl)methyl]-3-[[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methylamino]methyl]-3-hydroxy- [ACD/Index Name]
1-(2,3-difluorobenzyl)-3-{[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}-3-hydroxy-2-piperidinone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 590.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 310.9±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.02
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 12.71
ACD/KOC (pH 7.4): 179.65
Polar Surface Area: 72 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 302.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement