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    Technical details about CAS 498-94-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 498-94-2

    BUILDING BLOCK

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    2D Structure
    Also known as: Piperidine-4-carboxylic acid, 498-94-2, 4-piperidinecarboxylic acid, 4-carboxypiperidine, Hexahydroisonicotinic acid, H-inp-oh
    Molecular Formula
    C6H11NO2
    Molecular Weight
    129.16  g/mol
    InChI Key
    SRJOCJYGOFTFLH-UHFFFAOYSA-N
    FDA UNII
    M5TZP1RWIE
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    piperidine-4-carboxylic acid
    2.1.2 InChI
    InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
    2.1.3 InChI Key
    SRJOCJYGOFTFLH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    M5TZP1RWIE
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-piperidinecarboxylic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. Piperidine-4-carboxylic Acid

    2. 498-94-2

    3. 4-piperidinecarboxylic Acid

    4. 4-carboxypiperidine

    5. Hexahydroisonicotinic Acid

    6. H-inp-oh

    7. Dl-isopipecolinic Acid

    8. Isonicotinic Acid, Hexahydro-

    9. Acide Isonipecotique

    10. 4-hexahydroisonicotinic Acid

    11. Mfcd00006004

    12. Nsc 61049

    13. Iso-nipecotic Acid

    14. Acide Piperidine-carboxylique-4

    15. H-pic(4)-oh

    16. M5tzp1rwie

    17. 4-piperidine Carboxylic Acid

    18. Chembl279998

    19. Nsc-61049

    20. Acide Isonipecotique [french]

    21. Unii-m5tzp1rwie

    22. Einecs 207-872-3

    23. Brn 0112553

    24. Acide Piperidine-carboxylique-4 [french]

    25. Isonipecolinic Acid

    26. Isonipecotinic Acid

    27. 4-carboxy-piperidine

    28. Isonipecotic Acid, 97%

    29. Lopac-i18008

    30. 4-piperidincarboxylic Acid

    31. Magnesiuml-lactatetrihydrate

    32. 4-piperidinylcarboxylic Acid

    33. Piperidin-4-carboxylic Acid

    34. Lopac0_000705

    35. Mls000069407

    36. Piperidinecarboxylic Acid-(4)

    37. Schembl104297

    38. Isonipecotic Acid [mi]

    39. Gtpl4227

    40. Dtxsid9060100

    41. Hms3262m11

    42. Hms3887c15

    43. Zinc156973

    44. Act02073

    45. Albb-035134

    46. Cs-d1472

    47. Hy-y1176

    48. Nsc61049

    49. Tox21_500705

    50. Ab2970

    51. Bdbm50000106

    52. S5612

    53. Stk498304

    54. Akos000118858

    55. Ab00566

    56. Ccg-204790

    57. Lp00705

    58. Ps-5850

    59. Sdccgsbi-0050683.p002

    60. Ncgc00015573-01

    61. Ncgc00015573-02

    62. Ncgc00015573-03

    63. Ncgc00015573-04

    64. Ncgc00015573-05

    65. Ncgc00015573-06

    66. Ncgc00093373-02

    67. Ncgc00093373-03

    68. Ncgc00261390-01

    69. Ac-22478

    70. Smr000059085

    71. Sy001425

    72. Db-014830

    73. Am20100215

    74. Bb 0294867

    75. Eu-0100705

    76. Ft-0602398

    77. I0256

    78. I18008

    79. Piperidine-4-carboxylic Acid(isonipecotic Acid)

    80. Piperidine-4-carboxylic Acid (isonipecotic Acid)

    81. Sr-01000075617

    82. Sr-01000075617-1

    83. W-106001

    84. Q15239768

    85. F2191-0187

    86. 4-piperidinecarboxylic Acid; Hexahydroisonicotinic Acid;h-inp-oh

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 129.16 g/mol
    Molecular Formula C6H11NO2
    XLogP3-3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass129.078978594 g/mol
    Monoisotopic Mass129.078978594 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity108
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1