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    CAS 913614-18-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 913614-18-3, 1-(1-benzothiophen-4-yl)piperazine hydrochloride, 1-(1-benzothiophen-4-yl)piperazine;hydrochloride, Piperazine, 1-benzo[b]thien-4-yl-, hydrochloride, 1-(4-benzothienyl)piperazine hydrochloride, 1-benzo[b]thien-4-yl-piperazine monohydrochloride
    Molecular Formula
    C12H15ClN2S
    Molecular Weight
    254.78  g/mol
    InChI Key
    XDUUWPNOUUQXBX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(1-benzothiophen-4-yl)piperazine;hydrochloride
    2.1.2 InChI
    InChI=1S/C12H14N2S.ClH/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;/h1-4,9,13H,5-8H2;1H
    2.1.3 InChI Key
    XDUUWPNOUUQXBX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1)C2=C3C=CSC3=CC=C2.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 913614-18-3

    2. 1-(1-benzothiophen-4-yl)piperazine Hydrochloride

    3. 1-(1-benzothiophen-4-yl)piperazine;hydrochloride

    4. Piperazine, 1-benzo[b]thien-4-yl-, Hydrochloride

    5. 1-(4-benzothienyl)piperazine Hydrochloride

    6. 1-benzo[b]thien-4-yl-piperazine Monohydrochloride

    7. Mfcd26743820

    8. 1-benzo[b]thien-4-yl-piperazine Hydrochloride

    9. 1-(1-benzothiophen-4-yl)piperazine Hcl

    10. 1-benzo[b]thiophene-4-yl-piperazine Hydrochloride

    11. Schembl294116

    12. Amy3597

    13. Bcp12824

    14. 1-benzo[b]thien-4-yl-piperazine Hcl

    15. Akos025291106

    16. Ds-7609

    17. Sb17588

    18. 1-(benzo[b]thiophen-4-yl)piperazine Hcl

    19. Ac-30408

    20. Da-31648

    21. Sy047421

    22. Cs-0028119

    23. Ft-0718164

    24. 1-benzo[b]thiophen-4-ylpiperazine Hydrochloride

    25. P14087

    26. 1-(benzo[b]thiophen-4-yl)piperazinehydrochloride

    27. 1-benzo[b]thiophen-4-yl Piperazine Hydrochloride

    28. 1-benzo[b]thiophen-4-yl-piperazine Hydrochloride

    29. 4-(1-piperazinyl)benzo[b]thiophene Hydrochloride

    30. L-benzo[b]thiophen-4-yl-piperazine Hydrochloride

    31. A855309

    32. L-benzo[b]thiophene-4-yl-piperazine Hydrochloride

    33. 1-benzo[b]thien-4-yl-piperazine Hydrochloride, Aldrichcpr

    34. Piperazine, 1-benzo[b]thien-4-yl-, Hydrochloride (1:1)

    35. 1-(benzo[b]thiophen-4-yl)piperazine Hydrochloride;1-(4-benzothienyl)piperazine Hydrochloride

    2.3 Create Date
    2012-08-08
    3 Chemical and Physical Properties
    Molecular Weight 254.78 g/mol
    Molecular Formula C12H15ClN2S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass254.0644474 g/mol
    Monoisotopic Mass254.0644474 g/mol
    Topological Polar Surface Area43.5 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity216
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2