ChemSpider 2D Image | 1-(2-Fluorobenzyl)-4-[1-(2-furylmethyl)-4-piperidinyl]-1,4-diazepane | C22H30FN3O

1-(2-Fluorobenzyl)-4-[1-(2-furylmethyl)-4-piperidinyl]-1,4-diazepane

  • Molecular FormulaC22H30FN3O
  • Average mass371.491 Da
  • Monoisotopic mass371.237305 Da
  • ChemSpider ID67976682

More details:

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

1-(2-Fluorbenzyl)-4-[1-(2-furylmethyl)-4-piperidinyl]-1,4-diazepan [German] [ACD/IUPAC Name]
1-(2-Fluorobenzyl)-4-[1-(2-furylmethyl)-4-piperidinyl]-1,4-diazepane [ACD/IUPAC Name]
1-(2-Fluorobenzyl)-4-[1-(2-furylméthyl)-4-pipéridinyl]-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(2-fluorophenyl)methyl]-4-[1-(2-furanylmethyl)-4-piperidinyl]hexahydro- [ACD/Index Name]
1-(2-fluorobenzyl)-4-[1-(2-furylmethyl)piperidin-4-yl]-1,4-diazepane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 453.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.1±28.7 °C
Index of Refraction: 1.571
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 3.36
ACD/KOC (pH 7.4): 30.91
Polar Surface Area: 23 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 321.1±3.0 cm3

Click to predict properties on the Chemicalize site


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