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    CAS 58859-46-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 58859-46-4, Ethyl 4-aminopiperidine-1-carboxylate, 4-amino-1-carbethoxypiperidine, 1-piperidinecarboxylic acid, 4-amino-, ethyl ester, Mfcd00006484, 54815srp4z
    Molecular Formula
    C8H16N2O2
    Molecular Weight
    172.22  g/mol
    InChI Key
    GQQQULCEHJQUJT-UHFFFAOYSA-N
    FDA UNII
    54815SRP4Z
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 4-aminopiperidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3
    2.1.3 InChI Key
    GQQQULCEHJQUJT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)N1CCC(CC1)N
    2.2 Other Identifiers
    2.2.1 UNII
    54815SRP4Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 58859-46-4

    2. Ethyl 4-aminopiperidine-1-carboxylate

    3. 4-amino-1-carbethoxypiperidine

    4. 1-piperidinecarboxylic Acid, 4-amino-, Ethyl Ester

    5. Mfcd00006484

    6. 54815srp4z

    7. Ethyl-4-amino-1-piperidine Carboxylate

    8. 4-amino-1-piperidinecarboxylic Acid Ethyl Ester

    9. Unii-54815srp4z

    10. N-carbethoxy-4-amino-piperidone

    11. Ethyl 4-aminopiperidinecarboxylate

    12. Einecs 261-472-3

    13. Schembl382565

    14. Ethyl 4-aminopiperdinecarboxylate

    15. Dtxsid80207570

    16. Ethyl 4-amino-piperidinecarboxylate

    17. Ethyl 4-anino-piperidinecarboxylate

    18. Act02116

    19. Albb-005996

    20. Zinc3860144

    21. Ethyl-4-amino-piperidine Carboxylate

    22. Stk503658

    23. 1-(ethoxycarbonyl)-4-aminopiperidine

    24. 4-amino-1-(ethoxycarbonyl)piperidine

    25. Ethyl-4-amino-1-piperidinecarboxylate

    26. Ethyl4-amino-1-piperidine Carboxylate

    27. Akos000121456

    28. Ethyl 4-amino-1-piperidine Carboxylate

    29. Ethyl 4-amino-piperidine-1-carboxylate

    30. Ethyl-4-amino-1-piperidine-carboxylate

    31. Sb41087

    32. Wt82056

    33. Ethyl-4-amino- 1-piperidine Carboxylate

    34. Ac-23899

    35. As-63097

    36. Sy012564

    37. Db-014800

    38. Bb 0254613

    39. Cs-0001968

    40. Ethyl 4-amino-1-piperidinecarboxylate, 96%

    41. Ft-0617585

    42. 4-amino-1-piperidinecarboxylicacid Ethyl Ester

    43. 4-aminopiperidine-1-carboxylic Acid Ethyl Ester

    44. 4-amino-1-piperidine Carboxylic Acid Ethyl Ester

    45. 4-amino-1-piperidinecarboxylic Acid, Ethyl Ester

    46. 4-amino-piperidine-1-carboxylic Acid Ethyl Ester

    47. A832042

    48. Q27261186

    49. F2190-0520

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 172.22 g/mol
    Molecular Formula C8H16N2O2
    XLogP30.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass172.121177757 g/mol
    Monoisotopic Mass172.121177757 g/mol
    Topological Polar Surface Area55.6 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity153
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1