ChemSpider 2D Image | Ethyl 4-{1-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]-3-piperidinyl}-1-piperazinecarboxylate | C21H30FN3O2

Ethyl 4-{1-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]-3-piperidinyl}-1-piperazinecarboxylate

  • Molecular FormulaC21H30FN3O2
  • Average mass375.480 Da
  • Monoisotopic mass375.232208 Da
  • ChemSpider ID22836149

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinecarboxylic acid, 4-[1-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]-3-piperidinyl]-, ethyl ester [ACD/Index Name]
4-{1-[(2E)-3-(4-Fluorophényl)-2-propén-1-yl]-3-pipéridinyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{1-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]-3-piperidinyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{1-[(2E)-3-(4-fluorphenyl)-2-propen-1-yl]-3-piperidinyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-{1-[(2E)-3-(4-FLUOROPHENYL)PROP-2-EN-1-YL]PIPERIDIN-3-YL}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: 495.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.5±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.97
Polar Surface Area: 36 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 324.5±3.0 cm3

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