ChemSpider 2D Image | Ethyl 1-{3-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]benzyl}-4-piperidinecarboxylate | C24H39N3O4

Ethyl 1-{3-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]benzyl}-4-piperidinecarboxylate

  • Molecular FormulaC24H39N3O4
  • Average mass433.584 Da
  • Monoisotopic mass433.294067 Da
  • ChemSpider ID22233862

More details:

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

1-{3-[3-(4-Éthyl-1-pipérazinyl)-2-hydroxypropoxy]benzyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[3-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]phenyl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{3-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]benzyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{3-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]benzyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 1-({3-[3-(4-ETHYLPIPERAZIN-1-YL)-2-HYDROXYPROPOXY]PHENYL}METHYL)PIPERIDINE-4-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: 562.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 294.2±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 121.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 2.03
ACD/KOC (pH 7.4): 27.69
Polar Surface Area: 65 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 387.0±3.0 cm3

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