ChemSpider 2D Image | (2S)-1-[2,5-Diethyl-4-(2-hydroxy-2-methylpropyl)-1-piperazinyl]-2-butanol | C16H34N2O2

(2S)-1-[2,5-Diethyl-4-(2-hydroxy-2-methylpropyl)-1-piperazinyl]-2-butanol

  • Molecular FormulaC16H34N2O2
  • Average mass286.453 Da
  • Monoisotopic mass286.262024 Da
  • ChemSpider ID35204838

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-1-[2,5-Diethyl-4-(2-hydroxy-2-methylpropyl)-1-piperazinyl]-2-butanol [German] [ACD/IUPAC Name]
(2S)-1-[2,5-Diethyl-4-(2-hydroxy-2-methylpropyl)-1-piperazinyl]-2-butanol [ACD/IUPAC Name]
(2S)-1-[2,5-Diéthyl-4-(2-hydroxy-2-méthylpropyl)-1-pipérazinyl]-2-butanol [French] [ACD/IUPAC Name]
1,4-Piperazinediethanol, α4,2,5-triethyl-α1,α1-dimethyl-, (α4S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 400.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 171.1±23.2 °C
Index of Refraction: 1.474
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 3.24
ACD/KOC (pH 7.4): 49.30
Polar Surface Area: 47 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 300.3±3.0 cm3

Click to predict properties on the Chemicalize site


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