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    CAS 120013-39-0

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 120013-39-0, 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1h-inden-1-one hydrochloride, 5,6-dimethoxy-2-(piperidin-4-yl)methyl-indan-1-one hcl, 5,6-dimethoxy-2-(4-piperidylmethyl)-1-indanone hydrochloride, Desbenzyl donepezil hydrochloride, 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;hydrochloride
    Molecular Formula
    C17H24ClNO3
    Molecular Weight
    325.8  g/mol
    InChI Key
    WOZXDQQCMZIQEG-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C17H23NO3.ClH/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2;/h9-11,13,18H,3-8H2,1-2H3;1H
    2.1.3 InChI Key
    WOZXDQQCMZIQEG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C2C(=C1)CC(C2=O)CC3CCNCC3)OC.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 120013-39-0

    2. 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1h-inden-1-one Hydrochloride

    3. 5,6-dimethoxy-2-(piperidin-4-yl)methyl-indan-1-one Hcl

    4. 5,6-dimethoxy-2-(4-piperidylmethyl)-1-indanone Hydrochloride

    5. Desbenzyl Donepezil Hydrochloride

    6. 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;hydrochloride

    7. Mfcd09033179

    8. 5,6-dimethoxy-2-(4-piperidinylmethyl)-1-indanone, Hcl

    9. 5,6-dimethoxy-2-[(4-piperidyl)methyl]-1-indanone Hydrochloride

    10. 2,3-dihydro-5,6-dimethoxy-2-[(4-piperidinyl)methyl]indan-1-one Hydrochloride

    11. Chembl554887

    12. 5,6-dimethoxy-2-(piperidin-4-yl)methylindan-1-one Hydrochloride

    13. Schembl4833887

    14. Amy8992

    15. Dtxsid20561628

    16. Act04786

    17. Bcp08900

    18. Akos015846059

    19. Ac-6970

    20. Cs-w003576

    21. Gs-3114

    22. Sb41041

    23. 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-, Hydrochloride (1:1)

    24. Sy031027

    25. D3997

    26. Ft-0602055

    27. 013d390

    28. Q-100097

    29. 5,6-dimethoxy-2-piperidin-4-ylmethyl-indan-1-one Hydrochloride

    30. 5,6-dimethoxy-2-(4-piperidinylmethyl) -1-indanone Hydrochloride

    31. 5,6-dimethoxy-2-(piperidin-4-yl)methylene-indan-1-one Hydrochloride

    32. 5,6-dimethoxy-2-(piperidin-4-yl)methylindan-1-one Hydrochloride

    33. 2,3-dihydro-5,6-dimethoxyl-2-((piperidin-4-yl)methyl)inden-1-one Hcl

    34. 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-1h-inden-1-one Hydrochloride

    35. 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1h-inden-1-one Hcl

    36. 5,6-dimethoxy-2-[(piperidin-4-yl)methyl]-2,3-dihydro-1h-inden-1-one Hydrochloride

    37. 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinyl)methyl-indan-1-one Inverted Exclamation Mark Currencyhcl

    38. 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one Hydrochloride;5,6-dimethoxy-2-(4-piperidinylmethyl)-1-indanone Hydrochloride

    39. 5,6-dimethoxy-2-[(piperidin-4-yl)methyl]-2,3-dihydro-1h-inden-1-one--hydrogen Chloride (1/1)

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 325.8 g/mol
    Molecular Formula C17H24ClNO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass325.1444713 g/mol
    Monoisotopic Mass325.1444713 g/mol
    Topological Polar Surface Area47.6 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity367
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2