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    CAS 6269-89-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6269-89-2, 1-(4-nitro-phenyl)-piperazine, Piperazine, 1-(4-nitrophenyl)-, Mfcd00005961, 1-(4-nitrophenyl)-piperazine, N-(4-nitrophenyl)piperazine
    Molecular Formula
    C10H13N3O2
    Molecular Weight
    207.23  g/mol
    InChI Key
    VWOJSRICSKDKAW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-nitrophenyl)piperazine
    2.1.2 InChI
    InChI=1S/C10H13N3O2/c14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11H,5-8H2
    2.1.3 InChI Key
    VWOJSRICSKDKAW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1)C2=CC=C(C=C2)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 6269-89-2

    2. 1-(4-nitro-phenyl)-piperazine

    3. Piperazine, 1-(4-nitrophenyl)-

    4. Mfcd00005961

    5. 1-(4-nitrophenyl)-piperazine

    6. N-(4-nitrophenyl)piperazine

    7. N-(4-nitrophenyl)-piperazine

    8. Chembl165012

    9. Nsc33874

    10. Einecs 228-443-7

    11. 4-nitrophenylpiperazine

    12. Starbld0013746

    13. 4-nitro Phenylpiperazine

    14. 4-nitrophenyl Piperazine

    15. N-p-nitrophenylpiperazine

    16. 1-(4nitrophenyl)piperazine

    17. N-4-nitro-phenyl Piperazine

    18. 4-(4-nitrophenyl)piperazine

    19. Oprea1_305105

    20. Schembl336262

    21. 1-(4-nitro Phenyl)piperazine

    22. 1-(4-nitrophenyl) Piperazine

    23. Amot0052

    24. 4-(piperazin-1-yl)-nitrobenzene

    25. Dtxsid40978310

    26. 1-nitro-4-(1-piperazinyl)benzene

    27. 4-nitro-1-(1-piperazinyl)benzene

    28. Act09004

    29. Zinc3860568

    30. 1-(4-nitrophenyl)piperazine, 97%

    31. Bdbm50001908

    32. Nsc 33874

    33. Nsc-33874

    34. Stk060571

    35. Akos000120835

    36. Cs-w015268

    37. Ps-5829

    38. Ac-28094

    39. Sy014764

    40. Db-018619

    41. A8666

    42. Am20060699

    43. Bb 0245817

    44. Ft-0602617

    45. N0694

    46. F14874

    47. Sr-01000397548

    48. Sr-01000397548-1

    49. W-109010

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 207.23 g/mol
    Molecular Formula C10H13N3O2
    XLogP31
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass207.100776666 g/mol
    Monoisotopic Mass207.100776666 g/mol
    Topological Polar Surface Area61.1 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity215
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1