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    CAS 106266-04-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 106266-04-0, 4-(2,4-difluorobenzoyl)piperidine hcl, 4-(2,4-difluorobenzoyl)-piperidine hydrochloride, (2,4-difluoro-phenyl)-piperidin-4-yl-methanone hydrochloride, 4-(2,4-difluorobenzoyl)piperidine, hcl, (2,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride
    Molecular Formula
    C12H14ClF2NO
    Molecular Weight
    261.69  g/mol
    InChI Key
    QPJONRGTWKXJLG-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride
    2.1.2 InChI
    InChI=1S/C12H13F2NO.ClH/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H
    2.1.3 InChI Key
    QPJONRGTWKXJLG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1C(=O)C2=C(C=C(C=C2)F)F.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 106266-04-0

    2. 4-(2,4-difluorobenzoyl)piperidine Hcl

    3. 4-(2,4-difluorobenzoyl)-piperidine Hydrochloride

    4. (2,4-difluoro-phenyl)-piperidin-4-yl-methanone Hydrochloride

    5. 4-(2,4-difluorobenzoyl)piperidine, Hcl

    6. (2,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride

    7. Mfcd01313310

    8. Methanone, (2,4-difluorophenyl)-4-piperidinyl-, Hydrochloride

    9. (2,4-difluorophenyl)(piperidin-4-yl)methanone Hydrochloride

    10. 4-(2,4-difluorobenzoyl)piperidinehydrochloride

    11. (2,4-difluorophenyl)-4-piperidinyl-methanone Hcl

    12. Schembl1836446

    13. Dtxsid80596017

    14. Act04271

    15. Amy33434

    16. Bcp11943

    17. Akos015888702

    18. Ac-1637

    19. Cs-w012491

    20. Sb30444

    21. 4-(2,4-difluorobenzoyl)-piperidine Hcl

    22. As-13189

    23. Sy065767

    24. Db-005309

    25. A2026

    26. D3979

    27. Ft-0601043

    28. 266d040

    29. 4-(2,4-difluoro-benzoyl)-piperidine-hydrochloride

    30. A801433

    31. J-513261

    32. 2,4-difluorophenyl(4-piperidinyl)methanone Hydrochloride

    33. (2,4-difluorophenyl)(4-piperidinyl)methanone Hydrochloride

    34. (2,4-difluorophenyl)-(4-piperidinyl)methanone Hydrochloride

    35. 2,4-difluorophenyl-(4-piperidinyl)methanone Hydrochloride

    36. 4-(2,4-difluorobenzoyl)piperidine Hydrochloride, Aldrichcpr

    37. [2,4-bis(fluoranyl)phenyl]-piperidin-4-yl-methanone Hydrochloride

    38. (2,4-difluorophenyl)(piperidin-4-yl)methanone--hydrogen Chloride (1/1)

    39. (2,4-difluorophenyl)(piperidin-4-yl)methanone Hydrochloride;4-(2,4-difluorobenzoyl)piperidine Hcl

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 261.69 g/mol
    Molecular Formula C12H14ClF2NO
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass261.0731981 g/mol
    Monoisotopic Mass261.0731981 g/mol
    Topological Polar Surface Area29.1 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity253
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2