ChemSpider 2D Image | 2-{4-[3-(Benzyloxy)benzyl]-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl}ethanol | C28H41N3O2

2-{4-[3-(Benzyloxy)benzyl]-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl}ethanol

  • Molecular FormulaC28H41N3O2
  • Average mass451.644 Da
  • Monoisotopic mass451.319885 Da
  • ChemSpider ID22187540

More details:

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

2-{4-[3-(Benzyloxy)benzyl]-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl}ethanol [ACD/IUPAC Name]
2-{4-[3-(Benzyloxy)benzyl]-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl}ethanol [German] [ACD/IUPAC Name]
2-{4-[3-(Benzyloxy)benzyl]-1-(1-isopropyl-4-pipéridinyl)-2-pipérazinyl}éthanol [French] [ACD/IUPAC Name]
2-Piperazineethanol, 1-[1-(1-methylethyl)-4-piperidinyl]-4-[[3-(phenylmethoxy)phenyl]methyl]- [ACD/Index Name]
2-(4-{[3-(BENZYLOXY)PHENYL]METHYL}-1-(1-ISOPROPYLPIPERIDIN-4-YL)PIPERAZIN-2-YL)ETHANOL
2-(4-{[3-(BENZYLOXY)PHENYL]METHYL}-1-[1-(PROPAN-2-YL)PIPERIDIN-4-YL]PIPERAZIN-2-YL)ETHAN-1-OL
2-[4-[3-(benzyloxy)benzyl]-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl]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: 577.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 302.8±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.30
Polar Surface Area: 39 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 409.9±3.0 cm3

Click to predict properties on the Chemicalize site


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