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    CAS 1062580-52-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1062580-52-2, 477600-68-3, (3r,4r)-rel-1-benzyl-n,4-dimethylpiperidin-3-amine dihydrochloride, Cis-1-benzyl-n,4-dimethylpiperidin-3-amine dihydrochloride, Cis-n-benzyl-3-methylamino-4-methyl-piperidine bis-(hydrochloride), (3r,4r)-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine dihydrochloride
    Molecular Formula
    C14H24Cl2N2
    Molecular Weight
    291.3  g/mol
    InChI Key
    CVQNXCBXFOIHLH-DAIKJZOUSA-N
    FDA UNII
    H9652393WE
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C14H22N2.2ClH/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;;/h3-7,12,14-15H,8-11H2,1-2H3;2*1H/t12-,14+;;/m1../s1
    2.1.3 InChI Key
    CVQNXCBXFOIHLH-DAIKJZOUSA-N
    2.1.4 Canonical SMILES
    CC1CCN(CC1NC)CC2=CC=CC=C2.Cl.Cl
    2.1.5 Isomeric SMILES
    C[C@@H]1CCN(C[C@@H]1NC)CC2=CC=CC=C2.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    H9652393WE
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1062580-52-2

    2. 477600-68-3

    3. (3r,4r)-rel-1-benzyl-n,4-dimethylpiperidin-3-amine Dihydrochloride

    4. Cis-1-benzyl-n,4-dimethylpiperidin-3-amine Dihydrochloride

    5. Cis-n-benzyl-3-methylamino-4-methyl-piperidine Bis-(hydrochloride)

    6. (3r,4r)-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine Dihydrochloride

    7. H9652393we

    8. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine;dihydrochloride

    9. (3r,4r)-1-benzyl-n,4-dimethyl-3-piperidinamine Dihydrochloride

    10. (3r,4r)-1-benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride

    11. 3-piperidinamine,n,4-dimethyl-1-(phenylmethyl)-,hydrochloride(1:2),(3r,4r)-

    12. Mfcd11044501

    13. Ec 700-696-2

    14. Schembl1375746

    15. Unii-h9652393we

    16. Ampd00105

    17. Dtxsid60909964

    18. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-aminedihydrochloride

    19. Cs-b0452

    20. Akos016842796

    21. Am85470

    22. Cs-w009258

    23. Ac-26979

    24. Ds-16348

    25. P15623

    26. A850075

    27. A872075

    28. J-501288

    29. Cis-n-benzyl-3-methylamino-4-methyl-piperidine Bis-(hcl)

    30. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine 2hcl

    31. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine Bis-(hydrochloride)

    32. 1-benzyl-n,4-dimethylpiperidin-3-amine--hydrogen Chloride (1/2)

    33. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine Dihydrochloride_racemic

    34. (3r,4r)-rel-n,4-dimethyl-1-(phenylmethyl)-3-piperidinamine Dihydrochloride

    35. 3-piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, Hydrochloride (1:2), (3r,4r)-

    2.4 Create Date
    2010-06-21
    3 Chemical and Physical Properties
    Molecular Weight 291.3 g/mol
    Molecular Formula C14H24Cl2N2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass290.1316542 g/mol
    Monoisotopic Mass290.1316542 g/mol
    Topological Polar Surface Area15.3 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity199
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3