ChemSpider 2D Image | [3-(2-Fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl](2,7,8-trimethyl-4-quinolinyl)methanone | C26H29FN2O2

[3-(2-Fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl](2,7,8-trimethyl-4-quinolinyl)methanone

  • Molecular FormulaC26H29FN2O2
  • Average mass420.519 Da
  • Monoisotopic mass420.221313 Da
  • ChemSpider ID22226623

More details:

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

[3-(2-Fluorbenzyl)-3-(hydroxymethyl)-1-piperidinyl](2,7,8-trimethyl-4-chinolinyl)methanon [German] [ACD/IUPAC Name]
[3-(2-Fluorobenzyl)-3-(hydroxyméthyl)-1-pipéridinyl](2,7,8-triméthyl-4-quinoléinyl)méthanone [French] [ACD/IUPAC Name]
[3-(2-Fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl](2,7,8-trimethyl-4-quinolinyl)methanone [ACD/IUPAC Name]
Methanone, [3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidinyl](2,7,8-trimethyl-4-quinolinyl)- [ACD/Index Name]
{3-(2-fluorobenzyl)-1-[(2,7,8-trimethyl-4-quinolinyl)carbonyl]-3-piperidinyl}methanol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 606.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.5±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 122.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 492.56
ACD/KOC (pH 5.5): 2337.64
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1090.94
ACD/KOC (pH 7.4): 5177.53
Polar Surface Area: 53 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 350.2±3.0 cm3

Click to predict properties on the Chemicalize site


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