ChemSpider 2D Image | 2-(4-Fluorophenyl)-1-[4-(3-{[4-(3-pyridinylmethyl)-1-piperazinyl]methyl}phenoxy)-1-piperidinyl]ethanone | C30H35FN4O2

2-(4-Fluorophenyl)-1-[4-(3-{[4-(3-pyridinylmethyl)-1-piperazinyl]methyl}phenoxy)-1-piperidinyl]ethanone

  • Molecular FormulaC30H35FN4O2
  • Average mass502.623 Da
  • Monoisotopic mass502.274414 Da
  • ChemSpider ID23072989

More details:

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

2-(4-Fluorophenyl)-1-[4-(3-{[4-(3-pyridinylmethyl)-1-piperazinyl]methyl}phenoxy)-1-piperidinyl]ethanone [ACD/IUPAC Name]
2-(4-Fluorophényl)-1-[4-(3-{[4-(3-pyridinylméthyl)-1-pipérazinyl]méthyl}phénoxy)-1-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
2-(4-Fluorphenyl)-1-[4-(3-{[4-(3-pyridinylmethyl)-1-piperazinyl]methyl}phenoxy)-1-piperidinyl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(4-fluorophenyl)-1-[4-[3-[[4-(3-pyridinylmethyl)-1-piperazinyl]methyl]phenoxy]-1-piperidinyl]- [ACD/Index Name]
1-[3-({1-[(4-fluorophenyl)acetyl]-4-piperidinyl}oxy)benzyl]-4-(3-pyridinylmethyl)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: 669.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.8±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 13.53
ACD/KOC (pH 5.5): 94.50
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 236.63
ACD/KOC (pH 7.4): 1652.21
Polar Surface Area: 49 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 412.1±3.0 cm3

Click to predict properties on the Chemicalize site


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