ChemSpider 2D Image | 4-(3-Methylbutyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid | C16H29NO4

4-(3-Methylbutyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid

  • Molecular FormulaC16H29NO4
  • Average mass299.406 Da
  • Monoisotopic mass299.209656 Da
  • ChemSpider ID40225989

More details:

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

1,4-Piperidinedicarboxylic acid, 4-(3-methylbutyl)-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
4-(3-Methylbutyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
4-(3-Methylbutyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid [ACD/IUPAC Name]
Acide 4-(3-méthylbutyl)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1-(tert-butoxycarbonyl)-4-(3-methylbutyl)piperidine-4-carboxylic acid
1408788-27-1 [RN]
MFCD31381782

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 405.7±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±6.0 kJ/mol
    Flash Point: 199.2±26.8 °C
    Index of Refraction: 1.482
    Molar Refractivity: 80.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.53
    ACD/LogD (pH 5.5): 2.41
    ACD/BCF (pH 5.5): 23.48
    ACD/KOC (pH 5.5): 176.40
    ACD/LogD (pH 7.4): 0.61
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.77
    Polar Surface Area: 67 Å2
    Polarizability: 32.0±0.5 10-24cm3
    Surface Tension: 38.8±3.0 dyne/cm
    Molar Volume: 282.8±3.0 cm3

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