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    CAS 184177-81-9

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 184177-81-9, Phenyl n-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate, Phenyl {4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}carbamate, Smr000073777, Mls000062853, Phenyl {4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}carbamate
    Molecular Formula
    C23H23N3O3
    Molecular Weight
    389.4  g/mol
    InChI Key
    IKRKMYDCUZYKHX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate
    2.1.2 InChI
    InChI=1S/C23H23N3O3/c27-21-12-10-20(11-13-21)26-16-14-25(15-17-26)19-8-6-18(7-9-19)24-23(28)29-22-4-2-1-3-5-22/h1-13,27H,14-17H2,(H,24,28)
    2.1.3 InChI Key
    IKRKMYDCUZYKHX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1C2=CC=C(C=C2)NC(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 184177-81-9

    2. Phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate

    3. Phenyl {4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}carbamate

    4. Smr000073777

    5. Mls000062853

    6. Phenyl {4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}carbamate

    7. N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid Phenyl Ester

    8. Phenyl 4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenylcarbamate

    9. Posaconazole Impurity 32

    10. Mls002541909

    11. Schembl3898025

    12. Chembl1326856

    13. Bdbm62766

    14. Cid_1317528

    15. Dtxsid10361710

    16. Chebi:123196

    17. Hms2495j06

    18. Amy14801

    19. Zinc1145861

    20. Mfcd03784249

    21. Stk147738

    22. [4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid Phenyl Ester

    23. Akos000427516

    24. Ac-28752

    25. Ds-18226

    26. Cs-0010883

    27. A880789

    28. Q27212868

    29. Phenyl(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate

    30. N-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]carbamic Acid Phenyl Ester

    31. Carbamic Acid,[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-,phenyl Ester (9ci)

    2.3 Create Date
    2005-07-10
    3 Chemical and Physical Properties
    Molecular Weight 389.4 g/mol
    Molecular Formula C23H23N3O3
    XLogP34.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass389.17394160 g/mol
    Monoisotopic Mass389.17394160 g/mol
    Topological Polar Surface Area65 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity502
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1