ChemSpider 2D Image | trans-2-Benzyl 1-tert-butyl 4-methylpiperidine-1,2-dicarboxylate | C19H27NO4

trans-2-Benzyl 1-tert-butyl 4-methylpiperidine-1,2-dicarboxylate

  • Molecular FormulaC19H27NO4
  • Average mass333.422 Da
  • Monoisotopic mass333.194000 Da
  • ChemSpider ID32058635

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-Méthyl-1,2-pipéridinedicarboxylate de 2-benzyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (2S,4S)- [ACD/Index Name]
2-Benzyl 1-(2-methyl-2-propanyl) (2S,4S)-4-methyl-1,2-piperidinedicarboxylate [ACD/IUPAC Name]
2-Benzyl-1-(2-methyl-2-propanyl)-(2S,4S)-4-methyl-1,2-piperidindicarboxylat [German] [ACD/IUPAC Name]
339183-92-5 [RN]
trans-2-Benzyl 1-tert-butyl 4-methylpiperidine-1,2-dicarboxylate
(2R,4R)-rel-N-tert-Butyloxycarbonyl-4-methyl-2-piperidinecarboxylic Acid Benzyl Ester
(2S,4S)-2-benzyl 1-tert-butyl 4-methylpiperidine-1,2-dicarboxylate
[339183-92-5] [RN]
2-benzyl 1-(tert-butyl) (2S,4S)-4-methylpiperidine-1,2-dicarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.1±0.1 g/cm3
    Boiling Point: 423.1±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.7±3.0 kJ/mol
    Flash Point: 209.7±26.8 °C
    Index of Refraction: 1.516
    Molar Refractivity: 91.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.88
    ACD/LogD (pH 5.5): 4.01
    ACD/BCF (pH 5.5): 651.70
    ACD/KOC (pH 5.5): 3596.64
    ACD/LogD (pH 7.4): 4.01
    ACD/BCF (pH 7.4): 651.70
    ACD/KOC (pH 7.4): 3596.64
    Polar Surface Area: 56 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 40.5±3.0 dyne/cm
    Molar Volume: 303.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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