ChemSpider 2D Image | Methyl 4-{[3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidinyl)-1-piperazinyl]methyl}benzoate | C23H37N3O3

Methyl 4-{[3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidinyl)-1-piperazinyl]methyl}benzoate

  • Molecular FormulaC23H37N3O3
  • Average mass403.558 Da
  • Monoisotopic mass403.283478 Da
  • ChemSpider ID22208370

More details:

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

4-{[3-(2-Hydroxyéthyl)-4-(1-isopropyl-4-pipéridinyl)-1-pipérazinyl]méthyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-(2-hydroxyethyl)-4-[1-(1-methylethyl)-4-piperidinyl]-1-piperazinyl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidinyl)-1-piperazinyl]methyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidinyl)-1-piperazinyl]methyl}benzoat [German] [ACD/IUPAC Name]
METHYL 4-{[3-(2-HYDROXYETHYL)-4-(1-ISOPROPYLPIPERIDIN-4-YL)PIPERAZIN-1-YL]METHYL}BENZOATE
METHYL 4-{[3-(2-HYDROXYETHYL)-4-[1-(PROPAN-2-YL)PIPERIDIN-4-YL]PIPERAZIN-1-YL]METHYL}BENZOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 521.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.5±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 115.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -1.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 363.1±3.0 cm3

Click to predict properties on the Chemicalize site


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