ChemSpider 2D Image | [1-(Tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]acetic acid | C12H21NO2S

[1-(Tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]acetic acid

  • Molecular FormulaC12H21NO2S
  • Average mass243.366 Da
  • Monoisotopic mass243.129303 Da
  • ChemSpider ID36206244

More details:

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

[1-(Tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]acetic acid [ACD/IUPAC Name]
[1-(Tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]essigsäure [German] [ACD/IUPAC Name]
4-Piperidineacetic acid, 1-(tetrahydro-2H-thiopyran-4-yl)- [ACD/Index Name]
Acide [1-(tétrahydro-2H-thiopyrane-4-yl)-4-pipéridinyl]acétique [French] [ACD/IUPAC Name]
1538099-42-1 [RN]
2-[1-(thian-4-yl)piperidin-4-yl]acetic acid
MFCD21872752

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 406.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 72.3±6.0 kJ/mol
    Flash Point: 199.9±24.6 °C
    Index of Refraction: 1.551
    Molar Refractivity: 66.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.67
    ACD/LogD (pH 5.5): -0.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.16
    ACD/LogD (pH 7.4): -0.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.21
    Polar Surface Area: 66 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 47.2±3.0 dyne/cm
    Molar Volume: 209.3±3.0 cm3

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