ChemSpider 2D Image | Ethyl 1-{[4-(4-fluorobenzyl)-2,3-dioxo-1-piperazinyl]acetyl}-4-piperidinecarboxylate | C21H26FN3O5

Ethyl 1-{[4-(4-fluorobenzyl)-2,3-dioxo-1-piperazinyl]acetyl}-4-piperidinecarboxylate

  • Molecular FormulaC21H26FN3O5
  • Average mass419.447 Da
  • Monoisotopic mass419.185638 Da
  • ChemSpider ID29041040

More details:

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

1-{2-[4-(4-Fluorobenzyl)-2,3-dioxo-1-pipérazinyl]acétyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[4-[(4-fluorophenyl)methyl]-2,3-dioxo-1-piperazinyl]acetyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[4-(4-fluorobenzyl)-2,3-dioxo-1-piperazinyl]acetyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[4-(4-fluorbenzyl)-2,3-dioxo-1-piperazinyl]acetyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 303.1±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 104.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 57.46
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.02
ACD/KOC (pH 7.4): 57.46
Polar Surface Area: 87 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 323.0±3.0 cm3

Click to predict properties on the Chemicalize site


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