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    CAS 70918-74-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 70918-74-0, N-(1,4-benzodioxan-2-carbonyl)piperazine hydrochloride, 2-(1-piperazinylcarbonyl)-1,4-benzodioxane hydrochloride, (2,3-dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone hydrochloride, N-[(1,4-benzodioxane-2-yl)carboxyl] piperazine hydrochloride, 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride
    Molecular Formula
    C13H17ClN2O3
    Molecular Weight
    284.74  g/mol
    InChI Key
    TUKBWYXLYINULI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride
    2.1.2 InChI
    InChI=1S/C13H16N2O3.ClH/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12;/h1-4,12,14H,5-9H2;1H
    2.1.3 InChI Key
    TUKBWYXLYINULI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 70918-74-0

    2. N-(1,4-benzodioxan-2-carbonyl)piperazine Hydrochloride

    3. 2-(1-piperazinylcarbonyl)-1,4-benzodioxane Hydrochloride

    4. (2,3-dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone Hydrochloride

    5. N-[(1,4-benzodioxane-2-yl)carboxyl] Piperazine Hydrochloride

    6. 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride

    7. N-(1,4-benzodioxan-2-carbonyl)-piperazine Hydrochloride

    8. N-(2,3-dihydro-1,4-benzodioxane-2-carbonyl)piperazine Hydrochloride

    9. (2,3-dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone Hcl

    10. (2,3-dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone Hydrochloride

    11. (2,3-dihydro-benzo[1,4]dioxin-2-yl)piperazine-1-yl-methanone Hydrochloride

    12. N-[(1,4-benzodioxane-2-yl)carbonyl]piperazine Hydrochloride

    13. (2,3-dihydrobenzo[1,4]dioxin-2-yl)piperazin-1-yl-methanone Hydrochloride

    14. 1-[(2rs)-2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl]piperazine Hydrochloride

    15. Doxazosin Related Compou

    16. Ec 415-660-9

    17. Schembl8335181

    18. 2-(1-piperazinylcarbonyl)-1,4-benzodioxanehydrochloride

    19. 1-(1,4-benzodioxan-2-ylcarbonyl)piperazine Hydrochloride

    20. Dtxsid00384918

    21. Bcp13416

    22. 1-(23-dihydro-14-benzodioxin-2-ylcarbonyl)piperazine Hydrochloride

    23. Mfcd00729051

    24. P8b773

    25. Akos015889671

    26. Ac-6854

    27. Cs-w002671

    28. As-35636

    29. Doxazosin Ep Impurity B Monohydrochloride

    30. 1,4-benzodioxan-2-carbonyl Piperazine Hcl

    31. Ft-0641316

    32. P1890

    33. N-(1,4-benzodioxan-2-carbonyl)-piperazine Hcl

    34. N-(1,4-benzodioxan-2-carbonyl)piperazinehydrochloride

    35. 1-[(1,4-benzodioxan-2-yl)carbonyl]piperazine Hydrochloride

    36. N-[(1,4-benzodioxane-2-yl)carboxyl]piperazine Hydrochloride

    37. 1-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine Hydrochloride;

    38. 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)-carbonyl]-piperazine Hydrochloride

    39. (2,3-dihydro-1,4-benzodioxin-2-yl)(piperazin-1-yl)methanone--hydrogen Chloride (1/1)

    40. 1-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine Hydrochloride, Aldrichcpr

    41. Methanone, (2,3-dihydro-1,4-benzodioxin-2-yl)-1-piperazinyl-, Hydrochloride

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 284.74 g/mol
    Molecular Formula C13H17ClN2O3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass284.0927701 g/mol
    Monoisotopic Mass284.0927701 g/mol
    Topological Polar Surface Area50.8 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity305
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2