ChemSpider 2D Image | Ethyl 4-{3-[2-hydroxy-3-(1-piperidinyl)propoxy]-4-methoxybenzyl}-1-piperazinecarboxylate | C23H37N3O5

Ethyl 4-{3-[2-hydroxy-3-(1-piperidinyl)propoxy]-4-methoxybenzyl}-1-piperazinecarboxylate

  • Molecular FormulaC23H37N3O5
  • Average mass435.557 Da
  • Monoisotopic mass435.273315 Da
  • ChemSpider ID23054430

More details:

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

1-Piperazinecarboxylic acid, 4-[[3-[2-hydroxy-3-(1-piperidinyl)propoxy]-4-methoxyphenyl]methyl]-, ethyl ester [ACD/Index Name]
4-{3-[2-Hydroxy-3-(1-pipéridinyl)propoxy]-4-méthoxybenzyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{3-[2-hydroxy-3-(1-piperidinyl)propoxy]-4-methoxybenzyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-[2-hydroxy-3-(1-piperidinyl)propoxy]-4-methoxybenzyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-({3-[2-HYDROXY-3-(PIPERIDIN-1-YL)PROPOXY]-4-METHOXYPHENYL}METHYL)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: 582.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 306.1±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 12.92
Polar Surface Area: 75 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 373.4±3.0 cm3

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