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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

CAS 160707-37-9
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 Weight 218.29 g/mol
Molecular Formula C13H18N2O
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass218.141913202 g/mol
Monoisotopic Mass218.141913202 g/mol
Topological Polar Surface Area55.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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