ChemSpider 2D Image | Ethyl 4-{4-[4-(isobutylamino)-1-piperidinyl]benzoyl}-1-piperazinecarboxylate | C23H36N4O3

Ethyl 4-{4-[4-(isobutylamino)-1-piperidinyl]benzoyl}-1-piperazinecarboxylate

  • Molecular FormulaC23H36N4O3
  • Average mass416.557 Da
  • Monoisotopic mass416.278748 Da
  • ChemSpider ID22127483

More details:

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

1-Piperazinecarboxylic acid, 4-[4-[4-[(2-methylpropyl)amino]-1-piperidinyl]benzoyl]-, ethyl ester [ACD/Index Name]
4-{4-[4-(Isobutylamino)-1-pipéridinyl]benzoyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[4-(isobutylamino)-1-piperidinyl]benzoyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{4-[4-(isobutylamino)-1-piperidinyl]benzoyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-(4-{4-[(2-METHYLPROPYL)AMINO]PIPERIDIN-1-YL}BENZOYL)PIPERAZINE-1-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: 587.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.0±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 118.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 65 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 357.6±5.0 cm3

Click to predict properties on the Chemicalize site


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