ChemSpider 2D Image | 1-[(tert-Butoxy)carbonyl]-4-(4-chlorophenyl)piperidine-4-carboxylic acid | C17H22ClNO4

1-[(tert-Butoxy)carbonyl]-4-(4-chlorophenyl)piperidine-4-carboxylic acid

  • Molecular FormulaC17H22ClNO4
  • Average mass339.814 Da
  • Monoisotopic mass339.123749 Da
  • ChemSpider ID23955243

More details:

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

1,4-Piperidinedicarboxylic acid, 4-(4-chlorophenyl)-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
1-[(tert-Butoxy)carbonyl]-4-(4-chlorophenyl)piperidine-4-carboxylic acid
4-(4-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid [ACD/IUPAC Name]
4-(4-Chlorphenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
644981-94-2 [RN]
Acide 4-(4-chlorophényl)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
[644981-94-2] [RN]
1-(TERT-BUTOXYCARBONYL)-4-(4-CHLOROPHENYL)PIPERIDINE-4-CARBOXYLIC ACID
1-Boc-4-(4-chlorophenyl)-4-carboxypiperidine
4-(4-chlorophenyl)piperidine-1,4-dicarboxylic acid mono-tert-butyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 471.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±3.0 kJ/mol
    Flash Point: 238.9±28.7 °C
    Index of Refraction: 1.552
    Molar Refractivity: 86.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 2.36
    ACD/BCF (pH 5.5): 15.68
    ACD/KOC (pH 5.5): 90.55
    ACD/LogD (pH 7.4): 0.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.74
    Polar Surface Area: 67 Å2
    Polarizability: 34.4±0.5 10-24cm3
    Surface Tension: 49.1±3.0 dyne/cm
    Molar Volume: 271.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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