ChemSpider 2D Image | (S)-benzyl 2-methyl-4-oxopiperidine-1-carboxylate | C14H17NO3

(S)-benzyl 2-methyl-4-oxopiperidine-1-carboxylate

  • Molecular FormulaC14H17NO3
  • Average mass247.290 Da
  • Monoisotopic mass247.120850 Da
  • ChemSpider ID28190327

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Méthyl-4-oxo-1-pipéridinecarboxylate de benzyle [French] [ACD/IUPAC Name]
(S)-benzyl 2-methyl-4-oxopiperidine-1-carboxylate
1-Piperidinecarboxylic acid, 2-methyl-4-oxo-, phenylmethyl ester, (2S)- [ACD/Index Name]
921599-74-8 [RN]
Benzyl (2S)-2-methyl-4-oxo-1-piperidinecarboxylate [ACD/IUPAC Name]
Benzyl-(2S)-2-methyl-4-oxo-1-piperidincarboxylat [German] [ACD/IUPAC Name]
(S)-1-Cbz-2-Methylpiperidin-4-one
(s)-2-methyl-4-oxo-piperidine-1-carboxylic acid benzyl ester
(s)-benzyl2-methyl-4-oxopiperidine-1-carboxylate
benzyl (2S)-2-methyl-4-oxopiperidine-1-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 388.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 188.5±27.9 °C
    Index of Refraction: 1.543
    Molar Refractivity: 66.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.49
    ACD/LogD (pH 5.5): 2.12
    ACD/BCF (pH 5.5): 24.11
    ACD/KOC (pH 5.5): 339.59
    ACD/LogD (pH 7.4): 2.12
    ACD/BCF (pH 7.4): 24.11
    ACD/KOC (pH 7.4): 339.59
    Polar Surface Area: 47 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 44.9±3.0 dyne/cm
    Molar Volume: 212.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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