ChemSpider 2D Image | Methyl 5-[({1-[2-(2-fluorophenyl)ethyl]-3-piperidinyl}methyl)(methyl)amino]-5-oxopentanoate | C21H31FN2O3

Methyl 5-[({1-[2-(2-fluorophenyl)ethyl]-3-piperidinyl}methyl)(methyl)amino]-5-oxopentanoate

  • Molecular FormulaC21H31FN2O3
  • Average mass378.481 Da
  • Monoisotopic mass378.231873 Da
  • ChemSpider ID23070482

More details:

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

5-[({1-[2-(2-Fluorophényl)éthyl]-3-pipéridinyl}méthyl)(méthyl)amino]-5-oxopentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[({1-[2-(2-fluorophenyl)ethyl]-3-piperidinyl}methyl)(methyl)amino]-5-oxopentanoate [ACD/IUPAC Name]
Methyl-5-[({1-[2-(2-fluorphenyl)ethyl]-3-piperidinyl}methyl)(methyl)amino]-5-oxopentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 5-[[[1-[2-(2-fluorophenyl)ethyl]-3-piperidinyl]methyl]methylamino]-5-oxo-, methyl ester [ACD/Index Name]
METHYL 4-[({1-[2-(2-FLUOROPHENYL)ETHYL]PIPERIDIN-3-YL}METHYL)(METHYL)CARBAMOYL]BUTANOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 492.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.4±24.6 °C
Index of Refraction: 1.510
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.99
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 9.01
ACD/KOC (pH 7.4): 75.95
Polar Surface Area: 50 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 344.5±3.0 cm3

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