ChemSpider 2D Image | 2-{4-[3-(Hydroxymethyl)-4-isopropoxybenzyl]-1-isopropyl-2-piperazinyl}ethanol | C20H34N2O3

2-{4-[3-(Hydroxymethyl)-4-isopropoxybenzyl]-1-isopropyl-2-piperazinyl}ethanol

  • Molecular FormulaC20H34N2O3
  • Average mass350.496 Da
  • Monoisotopic mass350.256958 Da
  • ChemSpider ID22160771

More details:

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

2-{4-[3-(Hydroxymethyl)-4-isopropoxybenzyl]-1-isopropyl-2-piperazinyl}ethanol [ACD/IUPAC Name]
2-{4-[3-(Hydroxymethyl)-4-isopropoxybenzyl]-1-isopropyl-2-piperazinyl}ethanol [German] [ACD/IUPAC Name]
2-{4-[3-(Hydroxyméthyl)-4-isopropoxybenzyl]-1-isopropyl-2-pipérazinyl}éthanol [French] [ACD/IUPAC Name]
2-Piperazineethanol, 4-[[3-(hydroxymethyl)-4-(1-methylethoxy)phenyl]methyl]-1-(1-methylethyl)- [ACD/Index Name]
2-(4-{[3-(HYDROXYMETHYL)-4-(PROPAN-2-YLOXY)PHENYL]METHYL}-1-(PROPAN-2-YL)PIPERAZIN-2-YL)ETHAN-1-OL
2-(4-{[3-(HYDROXYMETHYL)-4-ISOPROPOXYPHENYL]METHYL}-1-ISOPROPYLPIPERAZIN-2-YL)ETHANOL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 483.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 246.1±27.3 °C
Index of Refraction: 1.539
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -1.08
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): 1.14
ACD/KOC (pH 7.4): 22.95
Polar Surface Area: 56 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 325.3±3.0 cm3

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