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    CAS 122368-54-1

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 122368-54-1, 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine, 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine, Pyridine, 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-, Pyridine,2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-, 4-[(4-chlorophenyl)-2-pyridylmethoxy]piperidine
    Molecular Formula
    C17H19ClN2O
    Molecular Weight
    302.8  g/mol
    InChI Key
    OTZYADIPHOGUDN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
    2.1.2 InChI
    InChI=1S/C17H19ClN2O/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15/h1-7,10,15,17,19H,8-9,11-12H2
    2.1.3 InChI Key
    OTZYADIPHOGUDN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 122368-54-1

    2. 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine

    3. 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine

    4. Pyridine, 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-

    5. Pyridine,2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-

    6. 4-[(4-chlorophenyl)-2-pyridylmethoxy]piperidine

    7. Schembl1499960

    8. 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-pyridine

    9. Dtxsid90456739

    10. Bcp12927

    11. Cs-b0347

    12. Mfcd13184723

    13. Akos015918327

    14. Sb41046

    15. Sb44353

    16. Ac-24024

    17. As-20124

    18. Ft-0659219

    19. C11183

    20. Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine

    21. 368c541

    22. A804882

    23. 2-[4-chloro-alpha-(4-piperidyloxy)benzyl]pyridine

    24. (r,s)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine

    25. 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]- Pyridine

    26. 4-[1-(4-chlorophenyl)-1-(2-pyridyl)methoxy]piperidine

    27. (+/-)-4-[(4-chlorophenyl)(2-pyridyl)-methoxy]piperidine

    28. (+/-)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine

    29. 2-[(s)-(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine

    30. 2-{(4-chlorophenyl)[(piperidin-4-yl)oxy]methyl}pyridine

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 302.8 g/mol
    Molecular Formula C17H19ClN2O
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass302.1185909 g/mol
    Monoisotopic Mass302.1185909 g/mol
    Topological Polar Surface Area34.2 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity301
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1