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    BUILDING BLOCK

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    Chemistry

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    Also known as: 27469-60-9, 1-(bis(4-fluorophenyl)methyl)piperazine, 1-(4,4'-difluorobenzhydryl)piperazine, 1-[bis-(4-fluorophenyl)methyl]piperazine, 1-bis(4-fluorophenyl)methyl piperazine, 4,4'-difluorobenzhydrylpiperazine
    Molecular Formula
    C17H18F2N2
    Molecular Weight
    288.33  g/mol
    InChI Key
    TTXIFFYPVGWLSE-UHFFFAOYSA-N
    FDA UNII
    JT57UD83SY
    CAS 27469-60-9
    1 2D Structure

    CAS 27469-60-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[bis(4-fluorophenyl)methyl]piperazine
    2.1.2 InChI
    InChI=1S/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
    2.1.3 InChI Key
    TTXIFFYPVGWLSE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
    2.2 Other Identifiers
    2.2.1 UNII
    JT57UD83SY
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(bis(4-fluorophenyl)methyl)piperazine

    2. Dtma-detriazinyl

    3. M-1-bfpmp

    2.3.2 Depositor-Supplied Synonyms

    1. 27469-60-9

    2. 1-(bis(4-fluorophenyl)methyl)piperazine

    3. 1-(4,4'-difluorobenzhydryl)piperazine

    4. 1-[bis-(4-fluorophenyl)methyl]piperazine

    5. 1-bis(4-fluorophenyl)methyl Piperazine

    6. 4,4'-difluorobenzhydrylpiperazine

    7. Piperazine, 1-[bis(4-fluorophenyl)methyl]-

    8. 4,4-difluorobenzhydrylpiperazine

    9. 1 [bis(4-fluorophenyl)methyl]-piperazine

    10. Jt57ud83sy

    11. 4,4'-difluorobenzhydryl Piperazine

    12. N-(bis(4-fluorophenyl)methyl)piperazine

    13. N-[bis(4-fluorophenyl)methyl]piperazine

    14. 1-bis(4-fluorophenyl)methylpiperazine

    15. Einecs 248-476-0

    16. [bis(4-fluorophenyl)methyl]piperazine

    17. Unii-jt57ud83sy

    18. Dsstox_cid_31488

    19. Dsstox_rid_97373

    20. Dsstox_gsid_57699

    21. Schembl336219

    22. Chembl3185776

    23. Dtxsid8057699

    24. Bis(4-fluorophenyl)methylpiperazine

    25. Albb-006009

    26. Bis(4-fluorophenyl) Methylpiperazine

    27. Tox21_113827

    28. 1-bis(p-fluorophenyl)methylpiperazine

    29. Mfcd00038660

    30. Stk503667

    31. Zinc19363656

    32. Akos000122871

    33. N-(4,4'-difluorobenzhydryl)piperazine

    34. 1-bis(4-fluorophenyl)methyl Piperzaine

    35. Ac-2053

    36. Ccg-356096

    37. Cs-w010009

    38. Ds-0039

    39. N-bis-(4-fluorophenyl)methylpiperazine

    40. 1-[bis(p-fluorophenyl)methyl]piperazine

    41. 1-(4,4'-difluorobenzylhydryl)piperazine

    42. 1-[bis(4-fluorophenyl)methylpiperazine]

    43. Ncgc00253707-01

    44. [bis-(4-fluorophenyl)-methyl]-piperazine

    45. 1-[bis(4-fluorophenyl) Methyl]piperazine

    46. 1-[bis(4-fluorophenyl)-methyl]piperazine

    47. 1-[bis(4-fluorophenyl)methyl]-piperazine

    48. 1-[di(4-fluorobenzenyl)methyl]piperazine

    49. 1-bis (p-fluorophenyl) Methyl Piperazine

    50. 1-(4,4'-difluorodiphenylmethyl)piperazine

    51. 1 -[bis-(4-fluorophenyl)methyl]piperazine

    52. 1-(4,4'-difluoro Benz Hydryl) Piperazine

    53. Cas-27469-60-9

    54. N-mono-(4,4'-difluorobenzhydryl)piperazine

    55. 1-[bis-(4-fluorophenyl)-methyl]-piperazine

    56. A5325

    57. Am20060426

    58. B2764

    59. Bb 0253744

    60. Ft-0629630

    61. 1-[bis-(4-fluoro-phenyl)-methyl]-piperazine

    62. 1-bis(4-fluorophenyl)methyl Piperazine, 97%

    63. N-mono-(4,4'-difluorofluorobenzhydryl)piperazine

    64. Sr-01000944772

    65. Sr-01000944772-1

    66. W-107112

    67. Z199056530

    2.4 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 288.33 g/mol
    Molecular Formula C17H18F2N2
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass288.14380491 g/mol
    Monoisotopic Mass288.14380491 g/mol
    Topological Polar Surface Area15.3 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity282
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    1-[bis(4-fluorophenyl)methyl]piperazine is a known human metabolite of flunarizine.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

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