ChemSpider 2D Image | Ethyl 1-(N,N-diethylglycyl)-3-(4-fluorobenzyl)-3-piperidinecarboxylate | C21H31FN2O3

Ethyl 1-(N,N-diethylglycyl)-3-(4-fluorobenzyl)-3-piperidinecarboxylate

  • Molecular FormulaC21H31FN2O3
  • Average mass378.481 Da
  • Monoisotopic mass378.231873 Da
  • ChemSpider ID22153263

More details:

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

1-(N,N-Diéthylglycyl)-3-(4-fluorobenzyl)-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[2-(diethylamino)acetyl]-3-[(4-fluorophenyl)methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-(N,N-diethylglycyl)-3-(4-fluorobenzyl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-(N,N-diethylglycyl)-3-(4-fluorbenzyl)-3-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 1-[2-(DIETHYLAMINO)ACETYL]-3-[(4-FLUOROPHENYL)METHYL]PIPERIDINE-3-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 482.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 245.8±28.7 °C
Index of Refraction: 1.522
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.28
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 20.19
Polar Surface Area: 50 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 337.1±3.0 cm3

Click to predict properties on the Chemicalize site


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