ChemSpider 2D Image | 1-[4,4-Bis(4-fluorophenyl)butyl]-4-(ethylcarbamoyl)piperazin-1-ium | C23H30F2N3O

1-[4,4-Bis(4-fluorophenyl)butyl]-4-(ethylcarbamoyl)piperazin-1-ium

  • Molecular FormulaC23H30F2N3O
  • Average mass402.500 Da
  • Monoisotopic mass402.235138 Da
  • ChemSpider ID128919704

  • Charge - Charge

More details:

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

1-[4,4-Bis(4-fluorophenyl)butyl]-4-(ethylcarbamoyl)piperazin-1-ium [ACD/IUPAC Name]
1-[4,4-Bis(4-fluorophényl)butyl]-4-(éthylcarbamoyl)pipérazin-1-ium [French] [ACD/IUPAC Name]
1-[4,4-Bis(4-fluorphenyl)butyl]-4-(ethylcarbamoyl)piperazin-1-ium [German] [ACD/IUPAC Name]
1-Piperazinecarboxamide, 4-[4,4-bis(4-fluorophenyl)butyl]-N-ethyl-, conjugate monoacid [ACD/Index Name]
amperozide cation
amperozide(1+)
  • Miscellaneous

    • Chemical Class:

      A tertiary ammonium ion that is conjugate acid of amperozide resulting from the protonation of the piperazine moiety; major species at pH 7.3. ChEBI CHEBI:180484

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

Density:
Boiling Point: 579.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.3±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 21.84
ACD/KOC (pH 5.5): 99.50
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 726.90
ACD/KOC (pH 7.4): 3312.48
Polar Surface Area: 37 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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