ChemSpider 2D Image | Methyl 4-[4-(3-oxo-3-{[3-(trifluoromethyl)benzyl]amino}propyl)-1-piperidinyl]pentanoate | C22H31F3N2O3

Methyl 4-[4-(3-oxo-3-{[3-(trifluoromethyl)benzyl]amino}propyl)-1-piperidinyl]pentanoate

  • Molecular FormulaC22H31F3N2O3
  • Average mass428.488 Da
  • Monoisotopic mass428.228668 Da
  • ChemSpider ID22203376

More details:

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

1-Piperidinebutanoic acid, γ-methyl-4-[3-oxo-3-[[[3-(trifluoromethyl)phenyl]methyl]amino]propyl]-, methyl ester [ACD/Index Name]
4-[4-(3-Oxo-3-{[3-(trifluorométhyl)benzyl]amino}propyl)-1-pipéridinyl]pentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[4-(3-oxo-3-{[3-(trifluoromethyl)benzyl]amino}propyl)-1-piperidinyl]pentanoate [ACD/IUPAC Name]
Methyl-4-[4-(3-oxo-3-{[3-(trifluormethyl)benzyl]amino}propyl)-1-piperidinyl]pentanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 538.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.1±30.1 °C
Index of Refraction: 1.489
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.23
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 2.43
ACD/KOC (pH 7.4): 15.25
Polar Surface Area: 59 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 373.4±3.0 cm3

Click to predict properties on the Chemicalize site


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