CAS 160707-37-9

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3 End Use APIs
17 Related Intermediates

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Also known as: 160707-37-9, 50288-62-5, (+/-)-threo-methylphenidate amide, Brx3q9gt5f, Hs1p4t2lcv, D-threo-alpha-phenyl-2-piperidineacetamide

Molecular Formula

C₁₃H₁₈N₂O

Molecular Weight

218.29 g/mol

InChI Key

LJLMNWPXAYKPGV-VXGBXAGGSA-N

FDA UNII

HS1P4T2LCV

1 2D Structure

CAS 160707-37-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetamide

2.1.2 InChI

InChI=1S/C13H18N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-3,6-7,11-12,15H,4-5,8-9H2,(H2,14,16)/t11-,12-/m1/s1

2.1.3 InChI Key

LJLMNWPXAYKPGV-VXGBXAGGSA-N

2.1.4 Canonical SMILES

C1CCNC(C1)C(C2=CC=CC=C2)C(=O)N

2.1.5 Isomeric SMILES

C1CCN[C@H](C1)[C@@H](C2=CC=CC=C2)C(=O)N

2.2 Other Identifiers

2.2.1 UNII

HS1P4T2LCV

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 160707-37-9

2. 50288-62-5

3. (+/-)-threo-methylphenidate Amide

4. Brx3q9gt5f

5. Hs1p4t2lcv

6. D-threo-alpha-phenyl-2-piperidineacetamide

7. Chembl1253490

8. (d,l)-threo-alpha-phenyl-2-piperidineacetamide

9. (alphar,2r)-alpha-phenyl-2-piperidineacetamide

10. Alpha-phenyl-2-piperidineacetamide, Threo-(+)-

11. Alpha-phenyl-2-piperidineacetamide, Threo-(+/-)-

12. Unii-brx3q9gt5f

13. Unii-hs1p4t2lcv

14. Methylphenidate Impurity C

15. Schembl14453323

16. Dtxsid501284531

17. Zinc5934431

18. Bdbm50327105

19. D-threo-?-phenyl-2-piperidineacetamide

20. Threo-alpha-phenyl-2-piperidineacetamide, (+/-)-

21. (2rs)-2-phenyl-2-[(2rs)-piperidin-2-yl]acetamide

22. 2-piperidineacetamide, Alpha-phenyl-, (alphar,2r)-

23. (d,l)-threo-.alpha.-phenyl-2-piperidineacetamide

24. (.alpha.r,2r)-.alpha.-phenyl-2-piperidineacetamide

25. .alpha.-phenyl-2-piperidineacetamide, Threo-(+)-

26. 2-piperidineacetamide, Alpha-phenyl-, (r*,r*)-, (+/-)-

27. .alpha.-phenyl-2-piperidineacetamide, Threo-(+/-)-

28. Methylphenidate Hydrochloride Impurity D [ep Impurity]

29. Threo-.alpha.-phenyl-2-piperidineacetamide, (+/-)-

30. 2-piperidineacetamide, .alpha.-phenyl-, (.alpha.r,2r)-

31. 2-piperidineacetamide, .alpha.-phenyl-, (r*,r*)-, (+/-)-

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₈N₂O
Molecular Weight	218.29 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	218.141913202 g/mol
Monoisotopic Mass	218.141913202 g/mol
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1