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    CAS 571188-59-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 571188-59-5, 1-boc-4-(6-aminopyridin-3-yl)piperazine, Otava-bb 1207229, 4-(6-amino-3-pyridyl)-1-boc-piperazine, Tert-butyl 4-(6-amino-3-pyridyl)piperazine-1-carboxylate, Mfcd11594962
    Molecular Formula
    C14H22N4O2
    Molecular Weight
    278.35  g/mol
    InChI Key
    RMULRXHUNOVPEI-UHFFFAOYSA-N
    FDA UNII
    6Y3BU8W3TC
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-12(15)16-10-11/h4-5,10H,6-9H2,1-3H3,(H2,15,16)
    2.1.3 InChI Key
    RMULRXHUNOVPEI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)N
    2.2 Other Identifiers
    2.2.1 UNII
    6Y3BU8W3TC
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 571188-59-5

    2. 1-boc-4-(6-aminopyridin-3-yl)piperazine

    3. Otava-bb 1207229

    4. 4-(6-amino-3-pyridyl)-1-boc-piperazine

    5. Tert-butyl 4-(6-amino-3-pyridyl)piperazine-1-carboxylate

    6. Mfcd11594962

    7. 6y3bu8w3tc

    8. 1-piperazinecarboxylic Acid, 4-(6-amino-3-pyridinyl)-, 1,1-dimethylethyl Ester

    9. 4-(6-aminopyridin-3-yl)piperazine-1-carboxylic Acid Tert-butyl Ester

    10. 1-boc-4-(6-amino-3-pyridyl)piperazine

    11. Unii-6y3bu8w3tc

    12. Ec 695-268-4

    13. Schembl1393764

    14. Chembl4534399

    15. Dtxsid10471464

    16. Tert-butyl4-(6-aminopyridin-3-yl)piperazine-1-carboxylate

    17. Bcp09472

    18. Cs-b0332

    19. Zinc19733972

    20. Akos005256818

    21. Gs-5930

    22. Sb17636

    23. Ac-29705

    24. Am804059

    25. Sy034775

    26. Ft-0689713

    27. En300-64671

    28. A856450

    29. 1-tert-butoxycarbonyl-4-(6-amino-3-pyridyl)piperazine

    30. T-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate

    31. Z1262270052

    32. 4-(6-amino-3-pyridyl)piperazine-1-carboxylic Acid Tert-butyl Ester

    33. 2-methyl-2-propanyl 4-(6-amino-3-pyridinyl)-1-piperazinecarboxylate

    34. 4(6-amino-pyridin-3-yl)-piperazine-1-carboxylic Acid Tert-butyl Ester

    35. 4-(6-amino-pyridin-3-yl)-piperazine-1-carboxyic Acid Tert-butyl Ester

    36. 4-(6-amino-pyridin-3-yl)-piperazine-1-carboxylic Acid Tert-butyl Ester

    37. 4-(6-amino-pyridin-3yl)-piperazine-1-carboxylic Acid Tert-butyl Ester

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 278.35 g/mol
    Molecular Formula C14H22N4O2
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass278.17427596 g/mol
    Monoisotopic Mass278.17427596 g/mol
    Topological Polar Surface Area71.7 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity335
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1