ChemSpider 2D Image | Ethyl 1-[(6-methyl-2-pyridinyl)methyl]-4-[2-(trifluoromethyl)benzyl]-4-piperidinecarboxylate | C23H27F3N2O2

Ethyl 1-[(6-methyl-2-pyridinyl)methyl]-4-[2-(trifluoromethyl)benzyl]-4-piperidinecarboxylate

  • Molecular FormulaC23H27F3N2O2
  • Average mass420.468 Da
  • Monoisotopic mass420.202454 Da
  • ChemSpider ID22175924

More details:

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

1-[(6-Méthyl-2-pyridinyl)méthyl]-4-[2-(trifluorométhyl)benzyl]-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(6-methyl-2-pyridinyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[(6-methyl-2-pyridinyl)methyl]-4-[2-(trifluoromethyl)benzyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[2-(trifluormethyl)benzyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 1-[(6-METHYLPYRIDIN-2-YL)METHYL]-4-{[2-(TRIFLUOROMETHYL)PHENYL]METHYL}PIPERIDINE-4-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 449.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 225.9±28.7 °C
Index of Refraction: 1.532
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 139.90
ACD/KOC (pH 5.5): 623.09
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1245.29
ACD/KOC (pH 7.4): 5546.31
Polar Surface Area: 42 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 349.7±3.0 cm3

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