ChemSpider 2D Image | Methyl 1-{4-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]-3-methoxybenzyl}-4-piperidinecarboxylate | C24H39N3O5

Methyl 1-{4-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]-3-methoxybenzyl}-4-piperidinecarboxylate

  • Molecular FormulaC24H39N3O5
  • Average mass449.584 Da
  • Monoisotopic mass449.288971 Da
  • ChemSpider ID22145490

More details:

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

1-{4-[3-(4-Éthyl-1-pipérazinyl)-2-hydroxypropoxy]-3-méthoxybenzyl}-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[4-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]-, methyl ester [ACD/Index Name]
Methyl 1-{4-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]-3-methoxybenzyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-{4-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]-3-methoxybenzyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]
METHYL 1-({4-[3-(4-ETHYLPIPERAZIN-1-YL)-2-HYDROXYPROPOXY]-3-METHOXYPHENYL}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: 579.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.4±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 123.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.66
Polar Surface Area: 75 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 394.5±3.0 cm3

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