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    CAS 2971-79-1

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    CAS 2971-79-1
    Also known as: 2971-79-1, Methyl piperidine-4-carboxylate, Methyl 4-piperidinecarboxylate, 4-piperidinecarboxylic acid, methyl ester, Isonipecotic acid methyl ester, Piperidine-4-carboxylic acid methyl ester
    Molecular Formula
    C7H13NO2
    Molecular Weight
    143.18  g/mol
    InChI Key
    RZVWBASHHLFBJF-UHFFFAOYSA-N
    1 2D Structure

    CAS 2971-79-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl piperidine-4-carboxylate
    2.1.2 InChI
    InChI=1S/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3
    2.1.3 InChI Key
    RZVWBASHHLFBJF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1CCNCC1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2971-79-1

    2. Methyl Piperidine-4-carboxylate

    3. Methyl 4-piperidinecarboxylate

    4. 4-piperidinecarboxylic Acid, Methyl Ester

    5. Isonipecotic Acid Methyl Ester

    6. Piperidine-4-carboxylic Acid Methyl Ester

    7. Methylpiperidine-4-carboxylate

    8. 4-piperidinecarboxylic Acid Methyl Ester

    9. Methylisonipecotate

    10. Methyl Piperidin-4-carboxylate

    11. Mfcd00190578

    12. Isonipecotic Acid Methyl

    13. 4-methoxycarbonylpiperidine

    14. Schembl5163

    15. Methyl-4-piperidinecarboxylate

    16. Isonipecotic Acid Methvl Ester

    17. Methyl 4-piperidinylcarboxylate

    18. Methyl 4-piperidine Carboxylate

    19. Methyl 4-piperidinecarboxylate #

    20. Zinc403131

    21. Act02120

    22. Methyl Isonipecotate, Technical Grade

    23. Akos000120869

    24. Ab04510

    25. Cs-w016419

    26. Gs-6893

    27. Ac-22463

    28. Piperadine-4-carboxylic Acid Methyl Ester

    29. Db-004059

    30. Am20090394

    31. Ft-0628746

    32. M2075

    33. En300-21425

    34. F11229

    35. A820022

    36. J-017611

    37. J-522626

    38. F2190-0333

    39. Methyl Piperidine-4-carboxylate; Methyl 4-piperidinecarboxylate; 4-piperidinecarboxylic Acid Methyl Ester;methyl Piperidine-4-carboxylate

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 143.18 g/mol
    Molecular Formula C7H13NO2
    XLogP3-0.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area38.3
    Heavy Atom Count10
    Formal Charge0
    Complexity119
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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                                          fermion-oy-2024-05-13

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