ChemSpider 2D Image | 1-Boc-2-benzyl-4-piperidinone | C17H23NO3

1-Boc-2-benzyl-4-piperidinone

  • Molecular FormulaC17H23NO3
  • Average mass289.369 Da
  • Monoisotopic mass289.167786 Da
  • ChemSpider ID13507527

More details:

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

193480-28-3 [RN]
1-Boc-2-benzyl-4-piperidinone
1-BOC-2-BENZYL-PIPERIDIN-4-ONE
1-Piperidinecarboxylic acid, 4-oxo-2-(phenylmethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Benzyl-4-oxo-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-benzyl-4-oxo-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-benzyl-4-oxo-1-piperidincarboxylat [German] [ACD/IUPAC Name]
MFCD04035610 [MDL number]
tert-butyl 2-benzyl-4-oxo-1-piperidinecarboxylate
tert-Butyl 2-benzyl-4-oxopiperidine-1-carboxylate
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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: 1.1±0.1 g/cm3
    Boiling Point: 409.0±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.1±3.0 kJ/mol
    Flash Point: 201.2±26.8 °C
    Index of Refraction: 1.535
    Molar Refractivity: 80.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.51
    ACD/LogD (pH 5.5): 3.07
    ACD/BCF (pH 5.5): 126.71
    ACD/KOC (pH 5.5): 1113.78
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 126.71
    ACD/KOC (pH 7.4): 1113.78
    Polar Surface Area: 47 Å2
    Polarizability: 32.0±0.5 10-24cm3
    Surface Tension: 43.4±3.0 dyne/cm
    Molar Volume: 259.5±3.0 cm3

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