ChemSpider 2D Image | (S)-3-(4-Fluorobenzyl)piperidine | C12H16FN

(S)-3-(4-Fluorobenzyl)piperidine

  • Molecular FormulaC12H16FN
  • Average mass193.260 Da
  • Monoisotopic mass193.126678 Da
  • ChemSpider ID21896929

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(4-Fluorbenzyl)piperidin [German] [ACD/IUPAC Name]
(3S)-3-(4-Fluorobenzyl)piperidine [ACD/IUPAC Name]
(3S)-3-(4-Fluorobenzyl)pipéridine [French] [ACD/IUPAC Name]
(3S)-3-[(4-Fluorophenyl)methyl]piperidine
(S)-3-(4-Fluorobenzyl)piperidine [ACD/IUPAC Name]
275815-80-0 [RN]
9261431 [Beilstein]
Piperidine, 3-[(4-fluorophenyl)methyl]-, (3S)- [ACD/Index Name]
T6MTJ C1R DF &&S Form [WLN]
MFCD09842215 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 276.6±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.5±3.0 kJ/mol
    Flash Point: 121.1±19.8 °C
    Index of Refraction: 1.513
    Molar Refractivity: 55.6±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.96
    ACD/LogD (pH 5.5): -0.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.67
    Polar Surface Area: 12 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 35.4±3.0 dyne/cm
    Molar Volume: 185.0±3.0 cm3

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