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    CAS 73278-98-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 73278-98-5, [3-(1-piperidinylmethyl)phenoxy]propylamine, 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine, Roxatidine impurity 2, (3-(1-piperidinylmethyl)phenoxy)propylamine, 3-(3-(piperidinomethyl)phenoxy)propylamine
    Molecular Formula
    C15H24N2O
    Molecular Weight
    248.36  g/mol
    InChI Key
    VQSXCZMVUMSITD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine
    2.1.2 InChI
    InChI=1S/C15H24N2O/c16-8-5-11-18-15-7-4-6-14(12-15)13-17-9-2-1-3-10-17/h4,6-7,12H,1-3,5,8-11,13,16H2
    2.1.3 InChI Key
    VQSXCZMVUMSITD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCN(CC1)CC2=CC(=CC=C2)OCCCN
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 73278-98-5

    2. [3-(1-piperidinylmethyl)phenoxy]propylamine

    3. 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine

    4. Roxatidine Impurity 2

    5. (3-(1-piperidinylmethyl)phenoxy)propylamine

    6. 3-(3-(piperidinomethyl)phenoxy)propylamine

    7. 3-[3-(piperidinomethyl)phenoxy]propylamine

    8. 3-{3-(piperidinomethyl)phenoxy}propylamine

    9. 3-[3-(1-piperidinylmethyl)phenoxy]propanamine

    10. 3-[3-[1-piperidinylmethyl]phenoxy]propanamine

    11. 3-[3-(1-piperidinylmethyl)phenoxy]propylamine

    12. 3-[3-(1-piperidylmethyl)phenoxy]-1-propanamine

    13. Chembl353792

    14. Schembl5288663

    15. Dtxsid10436937

    16. Bcp33841

    17. Mfcd07787282

    18. Zinc21992745

    19. Akos015904214

    20. 3-(m-piperidinomethylphenoxy)propylamine

    21. N-[3-(3-aminopropoxy)benzyl]piperidine

    22. 3-(3-piperidinomethylphenoxy)propylamine

    23. N-[3-(3-aminopropoxy)benzyl] Piperidine

    24. Sy293178

    25. 3-[3-(piperidinomethyl)phenoxy]propaneamine

    26. Cs-0455361

    27. Ft-0641452

    28. 3-[3-(1-piperidinomethyl)phenoxy]propylamine

    29. 3-[3-(l-piperidinomethyl)phenoxyl]propytamine

    30. N-3-[3-(piperidinomethyl)phenoxy]propylamine

    31. 3-[3-(1-piperidinylmethyl) Phenoxy]propanamine

    32. 3-[3-(1-piperidinylmethyl)phenoxy]propyl]amine

    33. 3-[3-[(1-piperidinyl)methyl]phenoxy]propanamine

    34. 3-[3-[(1-piperidinyl)methyl]phenoxy]propylamine

    35. 278p985

    36. 3-[3-(1-piperidinylmethyl)phenoxy]-1-propanamine

    37. 3-[3-[(1-piperidinyl)-methyl]phenoxy]propylamine

    38. 3-[3-[(1-piperidinyl)methyl]phenoxy]propaneamine

    39. A837773

    40. N-{3-[3-(1-piperidinomethyl)phenoxy]}propylamine

    41. 3-[3-(1-piperidinylmethyl) Phenoxy]-1-propanamine

    42. 3-{3-[(piperidin-1-yl)methyl]phenoxy}propan-1-amine

    43. 3-[3-(1-piperidylmethyl)phenoxy]propan-1-amine;3-(3-(piperidin-1-ylmethyl)phenoxy)propan-1-amine

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 248.36 g/mol
    Molecular Formula C15H24N2O
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass248.188863393 g/mol
    Monoisotopic Mass248.188863393 g/mol
    Topological Polar Surface Area38.5 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity217
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1