ChemSpider 2D Image | 1-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(1-piperidinylmethyl)piperidine | C21H29FN4O

1-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(1-piperidinylmethyl)piperidine

  • Molecular FormulaC21H29FN4O
  • Average mass372.480 Da
  • Monoisotopic mass372.232544 Da
  • ChemSpider ID22202617

More details:

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

1-{[3-(2-Fluorbenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(1-piperidinylmethyl)piperidin [German] [ACD/IUPAC Name]
1-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(1-piperidinylmethyl)piperidine [ACD/IUPAC Name]
1-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]méthyl}-4-(1-pipéridinylméthyl)pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-(1-piperidinylmethyl)- [ACD/Index 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: 501.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 257.0±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 9.95
Polar Surface Area: 45 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 319.8±3.0 cm3

Click to predict properties on the Chemicalize site


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