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    CAS 70918-00-2

    BUILDING BLOCK

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    2D Structure
    Also known as: 70918-00-2, N-[(1,4-benzodioxan-2-yl)carbonyl]piperazine, 1-(1,4-benzodioxane-2-carbonyl)piperazine, (2,3-dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone, N-1,4-benzodioxane-2-carbonyl piperazine, 2-(1-piperazinylcarbonyl)-1,4-benzodioxane
    Molecular Formula
    C13H16N2O3
    Molecular Weight
    248.28  g/mol
    InChI Key
    FLUPDJNTYCSBJZ-UHFFFAOYSA-N
    FDA UNII
    53FEH46OYE
    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
    2.1.2 InChI
    InChI=1S/C13H16N2O3/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
    2.1.3 InChI Key
    FLUPDJNTYCSBJZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2
    2.2 Other Identifiers
    2.2.1 UNII
    53FEH46OYE
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 70918-00-2

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

    3. 1-(1,4-benzodioxane-2-carbonyl)piperazine

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

    5. N-1,4-benzodioxane-2-carbonyl Piperazine

    6. 2-(1-piperazinylcarbonyl)-1,4-benzodioxane

    7. 1-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-piperazine

    8. 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone

    9. 1,4-benzodioxan-2-carboxypiperazine

    10. 53feh46oye

    11. 1-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine

    12. 1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazine

    13. 2,3-dihydro-1,4-benzodioxin-2-yl(piperazino)methanone

    14. 2,3-dihydro-1,4-benzodioxin-2-yl(piperazin-1-yl)methanone

    15. Piperazine, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-

    16. (1,4-benzodioxan-2-yl-carbonyl)piperazine

    17. Bionet2_001597

    18. Unii-53feh46oye

    19. 1-[(2rs)-2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl]piperazine

    20. (2,3-dihydrobenzo(b)(1,4)dioxin-2-yl)(piperazin-1-yl)methanone

    21. 1-((2rs)-2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine

    22. Piperazine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)-

    23. Maybridge1_005103

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

    25. Doxazosin Impurity B

    26. Ec 700-374-1

    27. Oprea1_573270

    28. Schembl610143

    29. 1-[(2,3-dihydro-1,4-benzodioxan-2-yl)carbonyl]piperazine

    30. Dtxsid10867969

    31. Hms1368k05

    32. Albb-004718

    33. Bbl004491

    34. Mfcd01837119

    35. Stk501315

    36. Akos000198889

    37. Akos016050231

    38. Ab14864

    39. Ab29462

    40. Ac-6645

    41. Ccg-251093

    42. Cs-w010225

    43. 2-(piperazinocarbonyl)-1,4-benzodioxane

    44. (1,4-benzodioxan-2-ylcarbonyl)piperazine

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

    46. Db-016269

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

    48. A9321

    49. Ft-0630312

    50. N-(1,4-benzodioxan-2-ylcarbonyl)piperazine

    51. P1836

    52. 1-(1,4-benzodioxan-2-yl-carbonyl)piperazine

    53. 1-[(1,4-benzodioxan-2-yl)carbonyl]piperazine

    54. 1x-0816

    55. 918b002

    56. An-708/37277001

    57. 1-(1,4-benzodioxan-2-ylcarbonyl)piperazine

    58. Doxazosin Mesilate Impurity B [ep Impurity]

    59. Q27261107

    60. Z56347424

    61. Usp Doxazosin Related Compound A [usp Impurity]

    62. (2,3-dihydrobenzo[1,4]dioxin-2-yl)piperazin-1-ylmethanone

    63. (2,3-dihydro-1,4-benzodioxin-2-yl)(piperazin-1-yl)methanone

    64. (2,3-dihydrobenzo(1,4)dioxin-2-yl)piperazin-1-yl-methanone

    65. (2,3-dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl -methanone

    66. (2,3-dihydrobenzo[b][1,4]dioxin-2-yl) (piperazin-1-yl)methanone

    67. (2,3-dihydrobenzo[b][1,4]dioxin-3-yl) (piperazin-1-yl)methanone

    68. 1-((2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)piperazine

    69. (+/-)-1-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine

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

    71. N-[(1,4-benzodioxan-2-yl)carbonyl]piperazine Hydrochloride, Aldrichcpr

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 248.28 g/mol
    Molecular Formula C13H16N2O3
    XLogP30.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass248.11609238 g/mol
    Monoisotopic Mass248.11609238 g/mol
    Topological Polar Surface Area50.8 Ų
    Heavy Atom Count18
    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 Count1