CAS 498-94-2

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3 End Use APIs
55 Related Intermediates

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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

CAS 498-94-2

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 Formula	C₆H₁₁NO₂
Molecular Weight	129.16 g/mol
XLogP3	-3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	129.078978594 g/mol
Monoisotopic Mass	129.078978594 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	108
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1