ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-4-benzyl-2-(2-hydroxyethyl)-1-piperazinecarboxylate | C18H28N2O3

2-Methyl-2-propanyl (2S)-4-benzyl-2-(2-hydroxyethyl)-1-piperazinecarboxylate

  • Molecular FormulaC18H28N2O3
  • Average mass320.427 Da
  • Monoisotopic mass320.209991 Da
  • ChemSpider ID18894839

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-Benzyl-2-(2-hydroxyéthyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 2-(2-hydroxyethyl)-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-4-benzyl-2-(2-hydroxyethyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-4-benzyl-2-(2-hydroxyethyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
(s)-4-benzyl-2-(2-hydroxyethyl)piperazine-1-carboxylic acid tert-butyl ester
(S)-tert-Butyl 4-benzyl-2-(2-hydroxyethyl)piperazine-1-carboxylate
(S)-tert-Butyl 4-benzyl-2-(2-hydroxyethyl)-piperazine-1-carboxylate
(S)-TERT-BUTYL-4-BENZYL-2-(2-HYDROXYETHYL)PIPERAZINE-1-CARBOXYLATE
[169447-92-1] [RN]
169447-92-1 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 430.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.2±3.0 kJ/mol
    Flash Point: 213.8±25.9 °C
    Index of Refraction: 1.538
    Molar Refractivity: 90.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.97
    ACD/LogD (pH 5.5): 1.67
    ACD/BCF (pH 5.5): 7.08
    ACD/KOC (pH 5.5): 84.66
    ACD/LogD (pH 7.4): 2.42
    ACD/BCF (pH 7.4): 40.31
    ACD/KOC (pH 7.4): 482.11
    Polar Surface Area: 53 Å2
    Polarizability: 35.8±0.5 10-24cm3
    Surface Tension: 43.9±3.0 dyne/cm
    Molar Volume: 289.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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