ChemSpider 2D Image | (6-Ethyl-2-methyl-4-quinolinyl)[3-(4-fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methanone | C26H29FN2O2

(6-Ethyl-2-methyl-4-quinolinyl)[3-(4-fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methanone

  • Molecular FormulaC26H29FN2O2
  • Average mass420.519 Da
  • Monoisotopic mass420.221313 Da
  • ChemSpider ID22379440

More details:

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

(6-Ethyl-2-methyl-4-chinolinyl)[3-(4-fluorbenzyl)-3-(hydroxymethyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
(6-Éthyl-2-méthyl-4-quinoléinyl)[3-(4-fluorobenzyl)-3-(hydroxyméthyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
(6-Ethyl-2-methyl-4-quinolinyl)[3-(4-fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
Methanone, (6-ethyl-2-methyl-4-quinolinyl)[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidinyl]- [ACD/Index Name]
[1-(6-ETHYL-2-METHYLQUINOLINE-4-CARBONYL)-3-[(4-FLUOROPHENYL)METHYL]PIPERIDIN-3-YL]METHANOL
[1-[(6-ethyl-2-methyl-4-quinolinyl)carbonyl]-3-(4-fluorobenzyl)-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: 604.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.1±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 725.96
ACD/KOC (pH 5.5): 3436.78
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1110.39
ACD/KOC (pH 7.4): 5256.70
Polar Surface Area: 53 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 350.5±3.0 cm3

Click to predict properties on the Chemicalize site


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