ChemSpider 2D Image | {3-[4-(3-Chlorophenyl)-1-piperazinyl]-1-piperidinyl}(6-methyl-2-pyridinyl)methanone | C22H27ClN4O

{3-[4-(3-Chlorophenyl)-1-piperazinyl]-1-piperidinyl}(6-methyl-2-pyridinyl)methanone

  • Molecular FormulaC22H27ClN4O
  • Average mass398.929 Da
  • Monoisotopic mass398.187347 Da
  • ChemSpider ID22249803

More details:

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

{3-[4-(3-Chlorophenyl)-1-piperazinyl]-1-piperidinyl}(6-methyl-2-pyridinyl)methanone [ACD/IUPAC Name]
{3-[4-(3-Chlorophényl)-1-pipérazinyl]-1-pipéridinyl}(6-méthyl-2-pyridinyl)méthanone [French] [ACD/IUPAC Name]
{3-[4-(3-Chlorphenyl)-1-piperazinyl]-1-piperidinyl}(6-methyl-2-pyridinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [3-[4-(3-chlorophenyl)-1-piperazinyl]-1-piperidinyl](6-methyl-2-pyridinyl)- [ACD/Index Name]
1-(3-CHLOROPHENYL)-4-[1-(6-METHYLPYRIDINE-2-CARBONYL)PIPERIDIN-3-YL]PIPERAZINE
1-(3-chlorophenyl)-4-{1-[(6-methyl-2-pyridinyl)carbonyl]-3-piperidinyl}piperazine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 584.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.0±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 112.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 18.70
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 80.38
ACD/KOC (pH 7.4): 673.30
Polar Surface Area: 40 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 322.4±3.0 cm3

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