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Also known as: 19395-41-6, 2-phenyl-2-(piperidin-2-yl)acetic acid, Phenyl(piperidin-2-yl)acetic acid, 2-phenyl-2-piperidin-2-ylacetic acid, Phenyl(2-piperidinyl)acetic acid, 2-phenyl-2-(2-piperidyl)acetic acid
Molecular Formula
C13H17NO2
Molecular Weight
219.28  g/mol
InChI Key
INGSNVSERUZOAK-UHFFFAOYSA-N

CAS 19395-41-6
1 2D Structure

CAS 19395-41-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-phenyl-2-piperidin-2-ylacetic acid
2.1.2 InChI
InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)
2.1.3 InChI Key
INGSNVSERUZOAK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Alpha-phenyl-2-piperidineacetic Acid

2. Ritalinic Acid, (r*,r*)-(+-)-isomer

2.2.2 Depositor-Supplied Synonyms

1. 19395-41-6

2. 2-phenyl-2-(piperidin-2-yl)acetic Acid

3. Phenyl(piperidin-2-yl)acetic Acid

4. 2-phenyl-2-piperidin-2-ylacetic Acid

5. Phenyl(2-piperidinyl)acetic Acid

6. 2-phenyl-2-(2-piperidyl)acetic Acid

7. Alpha-phenyl-2-piperidineacetic Acid

8. Alpha-phenylpiperidine-2-acetic Acid

9. Mfcd06200695

10. Dl-threo-ritalinic Acidsee R533110

11. 2-phenyl-2-piperidineacetic Acid

12. 54631-24-2

13. Einecs 243-020-7

14. 2-phenyl-2-(2-piperidyl) Acetic Acid

15. Ritalinic Acid, 99% (cp)

16. Schembl1462581

17. Chebi:83481

18. Dtxsid20864888

19. Ritalinic Acid, Analytical Standard

20. Bcp07811

21. Bcp26035

22. Phenyl(2-piperidinyl)acetic Acid #

23. S5251

24. Akos015892837

25. 2-piperidineacetic Acid, Alpha-phenyl-

26. Ac-8122

27. Cs-w022954

28. Fs-3198

29. 2-phenyl-2-piperidineacetic Acid, 98%

30. Sy030346

31. Db-014888

32. Ft-0653505

33. Ft-0674435

34. Ft-0674438

35. Ft-0674439

36. Ft-0674440

37. Ft-0674441

38. Ft-0674442

39. Ft-0674443

40. R0111

41. A19443

42. 395r416

43. Q17052328

44. Phenyl(2-piperidinyl)acetic Acid;2-phenyl-2-piperidineacetic Acid

45. L-threo-ritalinic Acid;(2s)-2-phenyl-2-[(s)-2-piperidinyl]acetic Acid

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 219.28 g/mol
Molecular Formula C13H17NO2
XLogP3-2.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass219.125928785 g/mol
Monoisotopic Mass219.125928785 g/mol
Topological Polar Surface Area49.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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