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    Technical details about CAS 84449-80-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-84449-80-9

    BUILDING BLOCK

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    2D Structure
    Also known as: 84449-80-9, 4-(2-(piperidin-1-yl)ethoxy)benzoic acid hydrochloride, 4-[2-(1-pipiridine)ethoxybenzoic acid hydrochloride, 166975-76-4, 4-[2-(1-piperidyl)ethoxy]benzoic acid hydrochloride, 4-(2-piperidinoethoxy)benzoic acid hcl
    Molecular Formula
    C14H20ClNO3
    Molecular Weight
    285.76  g/mol
    InChI Key
    CMVTYSMYHSVDIU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(2-piperidin-1-ylethoxy)benzoic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C14H19NO3.ClH/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15;/h4-7H,1-3,8-11H2,(H,16,17);1H
    2.1.3 InChI Key
    CMVTYSMYHSVDIU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)O.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 84449-80-9

    2. 4-(2-(piperidin-1-yl)ethoxy)benzoic Acid Hydrochloride

    3. 4-[2-(1-pipiridine)ethoxybenzoic Acid Hydrochloride

    4. 166975-76-4

    5. 4-[2-(1-piperidyl)ethoxy]benzoic Acid Hydrochloride

    6. 4-(2-piperidinoethoxy)benzoic Acid Hcl

    7. 4-(2-piperidin-1-ylethoxy)benzoic Acid;hydrochloride

    8. 4-(2-piperidinoethoxy)benzoic Acid, Hcl

    9. 4-[2-(piperidin-1-yl)ethoxy]benzoic Acid Hydrochloride

    10. Mfcd06657755

    11. 4-(2-piperidinoethoxy)benzoic Acid Hydrochloride(1:1)

    12. 4-[2-piperidinoethoxy]benzoic Acid Hydrochloride

    13. 4-[2-(1-piperidinyl)ethoxy]benzoic Acid Hydrochloride Salt

    14. Benzoic Acid, 4-[2-(1-piperidinyl)ethoxy]-, Hydrochloride

    15. 4-(2-(piperidin-1-yl)ethoxy)-benzoic Acid Hydrochloride

    16. 4-[2-(1-pyrrolidinyl) Ethoxy] Benzoic Acid Hydrochloride

    17. Benzoic Acid, 4-(2-(1-piperidinyl)ethoxy)-, Hydrochloride

    18. Einecs 282-882-9

    19. 4-(2-piperidin-1-yl-ethoxy)benzoic Acid Hydrochloride

    20. 4-(2-piperidin-1-ylethoxy)benzoic Acid Hydrochloride

    21. 4-(2-piperidin-1-yl-ethoxy)-benzoic Acid Hydrochloride

    22. Dsstox_cid_31630

    23. Dsstox_rid_97514

    24. Dsstox_gsid_57841

    25. Schembl228100

    26. Chembl3560778

    27. Dtxsid4057841

    28. Bcp08881

    29. Tox21_113785

    30. Akos000441572

    31. Ac-8394

    32. Cs-w021983

    33. Sb43121

    34. Ncgc00253659-01

    35. 4-(2-(1-piperidiny)ethoxy)benzoic Acid

    36. As-11052

    37. Sy017666

    38. Cas-84449-80-9

    39. Am20050067

    40. Ft-0641957

    41. Ft-0655452

    42. Ft-0673937

    43. 4-(2-piperidinoethoxy)benzoicacidhydrochloride

    44. 4-(2-(piperidin-1-yl)ethoxy)benzoic Acid Hcl

    45. 4-(2-piperidinoethoxy) Benzoic Acid Hydrochloride

    46. 4-(2-piperidinoethoxy)benzoic Acid, Hydrochloride

    47. 4-[2-(1-piperidyl)ethoxy]benzoicacidhydrochloride

    48. 449p809

    49. A810806

    50. A840784

    51. 4-(2-piperidino-ethoxy)benzoic Acid, Hydrochloride

    52. 4-(2-piperidinoethoxy)-benzoic Acid, Hydrochloride

    53. J-513245

    54. W-104118

    55. 4-(2-piperodin-1-yl-ethoxy)-benzoic Acid Hydrochloride

    56. 4-[2-(1-piperidinyl)ethoxy]benzoic Acid, Hydrochloride Salt

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 285.76 g/mol
    Molecular Formula C14H20ClNO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass285.1131712 g/mol
    Monoisotopic Mass285.1131712 g/mol
    Topological Polar Surface Area49.8 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity256
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2