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    Chemistry

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    Also known as: 420136-94-3, 4-(benzylamino)piperidine, N-benzyl-4-piperidinamine 2hcl, 4-benzylaminopiperidine, 4-(benzyl)amino piperidine, Schembl658055
    Molecular Formula
    C12H18N2
    Molecular Weight
    190.28  g/mol
    InChI Key
    HUJYJEPNVYXEND-UHFFFAOYSA-N
    CAS 420136-94-3
    1 2D Structure

    CAS 420136-94-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-benzylpiperidin-4-amine
    2.1.2 InChI
    InChI=1S/C12H18N2/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-5,12-14H,6-10H2
    2.1.3 InChI Key
    HUJYJEPNVYXEND-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1NCC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 420136-94-3

    2. 4-(benzylamino)piperidine

    3. N-benzyl-4-piperidinamine 2hcl

    4. 4-benzylaminopiperidine

    5. 4-(benzyl)amino Piperidine

    6. Schembl658055

    7. Chembl4576420

    8. Dtxsid20388493

    9. Zinc33506778

    10. Akos010243310

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 190.28 g/mol
    Molecular Formula C12H18N2
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass190.146998583 g/mol
    Monoisotopic Mass190.146998583 g/mol
    Topological Polar Surface Area24.1 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity146
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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