Piperidin-1-Yl-Acetic Acid

Synopsis, Chemistry

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Also known as: 3235-67-4, 1-piperidineacetic acid, 2-(piperidin-1-yl)acetic acid, Piperidin-1-ylacetic acid, 2-piperidin-1-ylacetic acid, 478920-86-4

Molecular Formula

C₇H₁₃NO₂

Molecular Weight

143.18 g/mol

InChI Key

VRDBIJCCXDEZJN-UHFFFAOYSA-N

1 2D Structure

Piperidin-1-Yl-Acetic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-piperidin-1-ylacetic acid

2.1.2 InChI

InChI=1S/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10)

2.1.3 InChI Key

VRDBIJCCXDEZJN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCN(CC1)CC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3235-67-4

2. 1-piperidineacetic Acid

3. 2-(piperidin-1-yl)acetic Acid

4. Piperidin-1-ylacetic Acid

5. 2-piperidin-1-ylacetic Acid

6. 478920-86-4

7. Mfcd00461042

8. Piperidinoacetic Acid

9. 1-piperidineaceticacid

10. Piperidino-essigsaure

11. Piperidine Acetic Acid

12. Piperidine-acetic Acid

13. 2-piperidinoacetic Acid

14. Pperdn-1-yl-acetc Acd

15. Piperidin1-yl-acetic Acid

16. Schembl15150

17. (piperidine-1-yl)-acetic Acid

18. Chembl1624513

19. Dtxsid90276797

20. 2-(piperidin-1-yl) Acetic Acid

21. 1-pyridineacetic Acid, Hexahydro-

22. Hms1686c04

23. Zinc529593

24. Albb-000109

25. Amy20084

26. Bbl013220

27. Stk397093

28. Akos000113608

29. Ab06105

30. Ac-2876

31. Sb36588

32. Piperidin-1-yl-acetic Acid, Aldrichcpr

33. Ncgc00245101-01

34. As-31301

35. Bas 00391520

36. Sy003212

37. Db-013312

38. Db-027448

39. Bb 0219055

40. Cs-0067848

41. Ft-0677949

42. Ft-0691157

43. A821239

44. J-523966

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₃NO₂
Molecular Weight	143.18 g/mol
XLogP3	-2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	143.094628657 g/mol
Monoisotopic Mass	143.094628657 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	119
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