ChemSpider 2D Image | 4-[2-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)ethoxy]benzoic acid | C18H26N2O5

4-[2-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)ethoxy]benzoic acid

  • Molecular FormulaC18H26N2O5
  • Average mass350.409 Da
  • Monoisotopic mass350.184174 Da
  • ChemSpider ID22547437

More details:

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

1-Piperazinecarboxylic acid, 4-[2-(4-carboxyphenoxy)ethyl]-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
4-[2-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)ethoxy]benzoesäure [German] [ACD/IUPAC Name]
4-[2-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)ethoxy]benzoic acid [ACD/IUPAC Name]
Acide 4-[2-(4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1-pipérazinyl)éthoxy]benzoïque [French] [ACD/IUPAC Name]
1216502-34-9 [RN]
1-Boc-4-[2-(4-carboxyphenoxy)ethyl]piperazine
4-(2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}ethoxy)benzoic acid
4-(2-{4-[(tert-butyl)oxycarbonyl]piperazinyl}ethoxy)benzoic acid
4-[2-(4-(tert-Butyloxycarbonyl)piperazin-1-yl)ethoxy]benzoic acid
4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]benzoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 500.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.0±3.0 kJ/mol
    Flash Point: 256.7±30.1 °C
    Index of Refraction: 1.544
    Molar Refractivity: 92.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.59
    ACD/LogD (pH 5.5): 1.34
    ACD/BCF (pH 5.5): 2.50
    ACD/KOC (pH 5.5): 23.44
    ACD/LogD (pH 7.4): 0.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.81
    Polar Surface Area: 79 Å2
    Polarizability: 36.8±0.5 10-24cm3
    Surface Tension: 46.9±3.0 dyne/cm
    Molar Volume: 294.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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