ChemSpider 2D Image | Methyl 4-{[3-(2-fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methyl}benzoate | C22H26FNO3

Methyl 4-{[3-(2-fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methyl}benzoate

  • Molecular FormulaC22H26FNO3
  • Average mass371.445 Da
  • Monoisotopic mass371.189667 Da
  • ChemSpider ID22139145

More details:

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

4-{[3-(2-Fluorobenzyl)-3-(hydroxyméthyl)-1-pipéridinyl]méthyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidinyl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[3-(2-fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[3-(2-fluorbenzyl)-3-(hydroxymethyl)-1-piperidinyl]methyl}benzoat [German] [ACD/IUPAC Name]
METHYL 4-({3-[(2-FLUOROPHENYL)METHYL]-3-(HYDROXYMETHYL)PIPERIDIN-1-YL}METHYL)BENZOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 240.8±25.9 °C
Index of Refraction: 1.571
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.54
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 30.13
ACD/KOC (pH 7.4): 218.45
Polar Surface Area: 50 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 313.2±3.0 cm3

Click to predict properties on the Chemicalize site


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