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    Technical details about CAS 201594-84-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 201594-84-5

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 201594-84-5, (s)-2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine, Pyridine, 2-[(s)-(4-chlorophenyl)(4-piperidinyloxy)methyl]-, 2-[(s)-(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine, Pyridine,2-[(s)-(4-chlorophenyl)(4-piperidinyloxy)methyl]-, 2-[(s)-(4-chlorophenyl)-(4-piperidinyloxy)-methyl]-pyridine
    Molecular Formula
    C17H19ClN2O
    Molecular Weight
    302.8  g/mol
    InChI Key
    OTZYADIPHOGUDN-KRWDZBQOSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(S)-(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/t17-/m0/s1
    2.1.3 InChI Key
    OTZYADIPHOGUDN-KRWDZBQOSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3
    2.1.5 Isomeric SMILES
    C1CNCCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 201594-84-5

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

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

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

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

    6. 2-[(s)-(4-chlorophenyl)-(4-piperidinyloxy)-methyl]-pyridine

    7. Schembl2805296

    8. Dtxsid70447428

    9. (s)-(-)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine

    10. Amy21945

    11. Bcp13376

    12. Cs-b0348

    13. Mfcd09955359

    14. Zinc22007005

    15. Akos015901675

    16. Ac-6931

    17. Ds-18255

    18. 594c845

    19. A879802

    20. (s)-4-[(4-chlorophenyl) (2-pyridyl)methoxy]piperidine

    21. (s)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine

    22. 4-[[(s)-4-chloro-alpha-(2-pyridyl)benzyl]oxy]piperidine

    23. (s)-(-)-4-[(4-chlorophenyl) (2-pyridyl)methoxy]piperidine

    24. 2-{(s)-(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 Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1