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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 705289-61-8, 728948-88-7, 2-[4-[(r)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol, 3muq2lj1p5, 4-((r)-(4-chlorophenyl)phenylmethyl)-1-piperazineethanol, Unii-3muq2lj1p5
    Molecular Formula
    C19H23ClN2O
    Molecular Weight
    330.8  g/mol
    InChI Key
    ZJQSBXXYLQGZBR-LJQANCHMSA-N
    FDA UNII
    3MUQ2LJ1P5
    CAS 705289-61-8
    1 2D Structure

    CAS 705289-61-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol
    2.1.2 InChI
    InChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2/t19-/m1/s1
    2.1.3 InChI Key
    ZJQSBXXYLQGZBR-LJQANCHMSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1CCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
    2.1.5 Isomeric SMILES
    C1CN(CCN1CCO)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    3MUQ2LJ1P5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 705289-61-8

    2. 728948-88-7

    3. 2-[4-[(r)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol

    4. 3muq2lj1p5

    5. 4-((r)-(4-chlorophenyl)phenylmethyl)-1-piperazineethanol

    6. Unii-3muq2lj1p5

    7. Schembl13845055

    8. Dtxsid80651150

    9. Zinc19365515

    10. (r)-2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethan-1-ol

    11. 2-{4-[(r)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-ol

    2.4 Create Date
    2009-05-28
    3 Chemical and Physical Properties
    Molecular Weight 330.8 g/mol
    Molecular Formula C19H23ClN2O
    XLogP33.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass330.1498911 g/mol
    Monoisotopic Mass330.1498911 g/mol
    Topological Polar Surface Area26.7 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity332
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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