ChemSpider 2D Image | (R)-2-Methyl-1-((S)-1-phenylethyl)piperidin-4-one | C14H19NO

(R)-2-Methyl-1-((S)-1-phenylethyl)piperidin-4-one

  • Molecular FormulaC14H19NO
  • Average mass217.307 Da
  • Monoisotopic mass217.146667 Da
  • ChemSpider ID24602935

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-Methyl-1-[(1S)-1-phenylethyl]-4-piperidinon [German] [ACD/IUPAC Name]
(2R)-2-Methyl-1-[(1S)-1-phenylethyl]-4-piperidinone [ACD/IUPAC Name]
(2R)-2-Méthyl-1-[(1S)-1-phényléthyl]-4-pipéridinone [French] [ACD/IUPAC Name]
(2R)-2-Methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
(R)-2-Methyl-1-((S)-1-phenylethyl)piperidin-4-one
103539-61-3 [RN]
4-Piperidinone, 2-methyl-1-[(1S)-1-phenylethyl]-, (2R)- [ACD/Index Name]
89467-37-8 [RN]
(R)-2-Methyl-1-((S)-1-phenylethyl)
(R)-2-Methyl-1-[(S)-1-phenylethyl]peperidin-4-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 319.1±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.1±3.0 kJ/mol
    Flash Point: 137.4±11.9 °C
    Index of Refraction: 1.535
    Molar Refractivity: 65.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.03
    ACD/LogD (pH 5.5): 0.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.25
    ACD/LogD (pH 7.4): 1.84
    ACD/BCF (pH 7.4): 13.14
    ACD/KOC (pH 7.4): 190.90
    Polar Surface Area: 20 Å2
    Polarizability: 25.9±0.5 10-24cm3
    Surface Tension: 38.5±3.0 dyne/cm
    Molar Volume: 209.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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