ChemSpider 2D Image | 2-{[3-(4-Fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methyl}-4-methoxyphenol | C21H26FNO3

2-{[3-(4-Fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methyl}-4-methoxyphenol

  • Molecular FormulaC21H26FNO3
  • Average mass359.434 Da
  • Monoisotopic mass359.189667 Da
  • ChemSpider ID22128350

More details:

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

2-{[3-(4-Fluorbenzyl)-3-(hydroxymethyl)-1-piperidinyl]methyl}-4-methoxyphenol [German] [ACD/IUPAC Name]
2-{[3-(4-Fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methyl}-4-methoxyphenol [ACD/IUPAC Name]
2-{[3-(4-Fluorobenzyl)-3-(hydroxyméthyl)-1-pipéridinyl]méthyl}-4-méthoxyphénol [French] [ACD/IUPAC Name]
3-Piperidinemethanol, 3-[(4-fluorophenyl)methyl]-1-[(2-hydroxy-5-methoxyphenyl)methyl]- [ACD/Index Name]
2-({3-[(4-FLUOROPHENYL)METHYL]-3-(HYDROXYMETHYL)PIPERIDIN-1-YL}METHYL)-4-METHOXYPHENOL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 490.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.5±27.3 °C
Index of Refraction: 1.584
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 10.15
ACD/KOC (pH 7.4): 101.97
Polar Surface Area: 53 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 297.8±3.0 cm3

Click to predict properties on the Chemicalize site


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