ChemSpider 2D Image | N-{[4-(3-Chlorophenyl)tetrahydro-2H-pyran-4-yl]methyl}-4-(2-hydroxy-2-methylpropyl)-3-methyl-1-piperazinecarboxamide | C22H34ClN3O3

N-{[4-(3-Chlorophenyl)tetrahydro-2H-pyran-4-yl]methyl}-4-(2-hydroxy-2-methylpropyl)-3-methyl-1-piperazinecarboxamide

  • Molecular FormulaC22H34ClN3O3
  • Average mass423.977 Da
  • Monoisotopic mass423.228882 Da
  • ChemSpider ID77471581

More details:

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

1-Piperazinecarboxamide, N-[[4-(3-chlorophenyl)tetrahydro-2H-pyran-4-yl]methyl]-4-(2-hydroxy-2-methylpropyl)-3-methyl- [ACD/Index Name]
N-{[4-(3-Chlorophenyl)tetrahydro-2H-pyran-4-yl]methyl}-4-(2-hydroxy-2-methylpropyl)-3-methyl-1-piperazinecarboxamide [ACD/IUPAC Name]
N-{[4-(3-Chlorophényl)tétrahydro-2H-pyran-4-yl]méthyl}-4-(2-hydroxy-2-méthylpropyl)-3-méthyl-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-{[4-(3-Chlorphenyl)tetrahydro-2H-pyran-4-yl]methyl}-4-(2-hydroxy-2-methylpropyl)-3-methyl-1-piperazincarboxamid [German] [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: 616.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.6±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 2.46
ACD/KOC (pH 5.5): 20.15
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 87.41
ACD/KOC (pH 7.4): 715.22
Polar Surface Area: 65 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 364.9±3.0 cm3

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