CAS 19395-41-6

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6 End Use APIs
14 Related Intermediates

Chemistry

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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

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 Formula	C₁₃H₁₇NO₂
Molecular Weight	219.28 g/mol
XLogP3	-2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	219.125928785 g/mol
Monoisotopic Mass	219.125928785 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1