ChemSpider 2D Image | Ethyl 3-({4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-1-piperidinecarboxylate | C20H25F3N4O5

Ethyl 3-({4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-1-piperidinecarboxylate

  • Molecular FormulaC20H25F3N4O5
  • Average mass458.431 Da
  • Monoisotopic mass458.177704 Da
  • ChemSpider ID30526931

More details:

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

1-Piperidinecarboxylic acid, 3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]carbonyl]-, ethyl ester [ACD/Index Name]
3-({4-[2-Nitro-4-(trifluorométhyl)phényl]-1-pipérazinyl}carbonyl)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-({4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-3-({4-[2-nitro-4-(trifluormethyl)phenyl]-1-piperazinyl}carbonyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 585.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.2±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 106.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 271.83
ACD/KOC (pH 5.5): 1923.44
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 271.83
ACD/KOC (pH 7.4): 1923.45
Polar Surface Area: 99 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 337.1±3.0 cm3

Click to predict properties on the Chemicalize site


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