ChemSpider 2D Image | 1-(2-carboxyphenylmethyl)-4-Boc piperazine | C17H24N2O4

1-(2-carboxyphenylmethyl)-4-Boc piperazine

  • Molecular FormulaC17H24N2O4
  • Average mass320.384 Da
  • Monoisotopic mass320.173615 Da
  • ChemSpider ID21521296

More details:

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

1-(1,1-Dimethylethyl) 4-[(2-carboxyphenyl)methyl]-1-piperazinecarboxylate
1-(2-carboxyphenylmethyl)-4-Boc piperazine
1-Piperazinecarboxylic acid, 4-[(2-carboxyphenyl)methyl]-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
2-({4-[(tert-butoxy)carbonyl]piperazin-1-yl}methyl)benzoic acid
2-[(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)methyl]benzoesäure [German] [ACD/IUPAC Name]
2-[(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)methyl]benzoic acid [ACD/IUPAC Name]
2-{[4-(tert-Butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid
914349-53-4 [RN]
Acide 2-[(4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1-pipérazinyl)méthyl]benzoïque [French] [ACD/IUPAC Name]
(R)-1-(2-carboxyphenylmethyl)-3-isopropyl-4-Boc piperazine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 445.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.2±3.0 kJ/mol
    Flash Point: 223.4±27.3 °C
    Index of Refraction: 1.562
    Molar Refractivity: 86.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.16
    ACD/LogD (pH 5.5): 0.91
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.19
    ACD/LogD (pH 7.4): 0.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.40
    Polar Surface Area: 70 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 50.2±3.0 dyne/cm
    Molar Volume: 266.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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