ChemSpider 2D Image | {2-[2-(3-{[4-(3-Chlorophenyl)-1-piperazinyl]methyl}phenoxy)ethyl]-1-piperidinyl}(3-pyridinyl)methanone | C30H35ClN4O2

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

  • Molecular FormulaC30H35ClN4O2
  • Average mass519.078 Da
  • Monoisotopic mass518.244873 Da
  • ChemSpider ID22223649

More details:

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

{2-[2-(3-{[4-(3-Chlorophenyl)-1-piperazinyl]methyl}phenoxy)ethyl]-1-piperidinyl}(3-pyridinyl)methanone [ACD/IUPAC Name]
{2-[2-(3-{[4-(3-Chlorophényl)-1-pipérazinyl]méthyl}phénoxy)éthyl]-1-pipéridinyl}(3-pyridinyl)méthanone [French] [ACD/IUPAC Name]
{2-[2-(3-{[4-(3-Chlorphenyl)-1-piperazinyl]methyl}phenoxy)ethyl]-1-piperidinyl}(3-pyridinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [2-[2-[3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]phenoxy]ethyl]-1-piperidinyl]-3-pyridinyl- [ACD/Index Name]
1-(3-chlorophenyl)-4-(3-{2-[1-(3-pyridinylcarbonyl)-2-piperidinyl]ethoxy}benzyl)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: 684.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.7±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 147.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 1589.33
ACD/KOC (pH 5.5): 4621.33
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 5995.67
ACD/KOC (pH 7.4): 17433.75
Polar Surface Area: 49 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 427.3±3.0 cm3

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