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    CAS 761440-65-7

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    CAS 761440-65-7
    Also known as: 761440-65-7, Mfcd18072517, 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine, Piperazine, 1-[1-(3-methoxy-4-nitrophenyl)-4-piperidinyl]-4-methyl-, Schembl375616, Amy4615
    Molecular Formula
    C17H26N4O3
    Molecular Weight
    334.4  g/mol
    InChI Key
    HNYSXOZEEKWPNM-UHFFFAOYSA-N
    1 2D Structure

    CAS 761440-65-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
    2.1.2 InChI
    InChI=1S/C17H26N4O3/c1-18-9-11-20(12-10-18)14-5-7-19(8-6-14)15-3-4-16(21(22)23)17(13-15)24-2/h3-4,13-14H,5-12H2,1-2H3
    2.1.3 InChI Key
    HNYSXOZEEKWPNM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 761440-65-7

    2. Mfcd18072517

    3. 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine

    4. Piperazine, 1-[1-(3-methoxy-4-nitrophenyl)-4-piperidinyl]-4-methyl-

    5. Schembl375616

    6. Amy4615

    7. Dtxsid401171541

    8. 1-[1-(3-methoxy-4-nitrophenyl)-4-piperidyl]-4-methylpiperazine

    9. Bcp24648

    10. 1-[1-(3-methoxy-4-nitrophenyl)-4-piperidinyl]-4-methylpiperazine

    11. Zinc74938206

    12. Akos027339034

    13. Bs-29510

    14. Sy275883

    15. 1-[1(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine

    16. 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4 Yl]-4-methylpiperazine

    17. 1-[1-(3-methoxy-4-nitrophenyl)piperidine-4-yl]-4-methylpiperazine

    18. 1-[1-(3-methoxy-4-nitro-phenyl)-piperidin-4-yl]-4-methyl-piperazine

    2.3 Create Date
    2012-03-08
    3 Chemical and Physical Properties
    Molecular Weight 334.4 g/mol
    Molecular Formula C17H26N4O3
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass334.20049070 g/mol
    Monoisotopic Mass334.20049070 g/mol
    Topological Polar Surface Area64.8 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity415
    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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