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    CAS 1628047-87-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1628047-87-9, G6cm4y7l6k, 1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine dihydrochloride, 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;dihydrochloride, 1-([2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl)piperazine 2hcl salt, 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine dihydrochloride
    Molecular Formula
    C19H29Cl3N2
    Molecular Weight
    391.8  g/mol
    InChI Key
    KISZDCHFJKYNFW-UHFFFAOYSA-N
    FDA UNII
    G6CM4Y7L6K
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C19H27ClN2.2ClH/c1-19(2)8-7-16(14-22-11-9-21-10-12-22)18(13-19)15-3-5-17(20)6-4-15;;/h3-6,21H,7-14H2,1-2H3;2*1H
    2.1.3 InChI Key
    KISZDCHFJKYNFW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCNCC3)C.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    G6CM4Y7L6K
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1628047-87-9

    2. G6cm4y7l6k

    3. 1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine Dihydrochloride

    4. 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;dihydrochloride

    5. 1-([2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl)piperazine 2hcl Salt

    6. 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine Dihydrochloride

    7. 1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazine Dihydrochloride

    8. 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-(1,1'-biphenyl)-2-yl)methyl)piperazine Dihydrochloride

    9. 1-([2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl)piperazine Dihydrochloride Salt

    10. 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine Dihydrochloride Salt

    11. Piperazine, 1-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-, Hydrochloride (1:2)

    12. Unii-g6cm4y7l6k

    13. Ec 941-920-0

    14. Amy344

    15. Schembl16030555

    16. Bcp15128

    17. Cs-b1506

    18. Mfcd28334264

    19. Akos025289806

    20. Ds-7611

    21. Sb17749

    22. Ac-29962

    23. Db-120777

    24. P14646

    25. A882796

    26. 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine Dihcl

    27. 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine 2hcl

    28. 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazinedihydrochloride

    2.4 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 391.8 g/mol
    Molecular Formula C19H29Cl3N2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass390.139632 g/mol
    Monoisotopic Mass390.139632 g/mol
    Topological Polar Surface Area15.3 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity402
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3