CAS 27262-40-4

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Also known as: 27262-40-4, (s)-n-(2,6-dimethylphenyl)piperidine-2-carboxamide, 2-piperidinecarboxamide, n-(2,6-dimethylphenyl)-, (2s)-, (2s)-n-(2,6-dimethylphenyl)-2-piperidinecarboxamide, 2',6'-pipecoloxylidide, (+)-, Demethylmepivacaine, (+)-

Molecular Formula

C₁₄H₂₀N₂O

Molecular Weight

232.32 g/mol

InChI Key

SILRCGDPZGQJOQ-LBPRGKRZSA-N

FDA UNII

4A8HC6M4AL

1 2D Structure

CAS 27262-40-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide

2.1.2 InChI

InChI=1S/C14H20N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1

2.1.3 InChI Key

SILRCGDPZGQJOQ-LBPRGKRZSA-N

2.1.4 Canonical SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2

2.1.5 Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@@H]2CCCCN2

2.2 Other Identifiers

2.2.1 UNII

4A8HC6M4AL

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 27262-40-4

2. (s)-n-(2,6-dimethylphenyl)piperidine-2-carboxamide

3. 2-piperidinecarboxamide, N-(2,6-dimethylphenyl)-, (2s)-

4. (2s)-n-(2,6-dimethylphenyl)-2-piperidinecarboxamide

5. 2',6'-pipecoloxylidide, (+)-

6. Demethylmepivacaine, (+)-

7. Desbutylbupivacaine, (+)-

8. (2s)-n-(2,6-dimethylphenyl)piperidine-2-carboxamide

9. L-pipecolic Acid 2,6-xylidide

10. 4a8hc6m4al

11. (s)-n-(2',6'-dimethylphenyl)-2-piperidine Carboxamide

12. (s)-n-(2',6'-dimethylphenyl)piperidine-2-carboxylic Amide

13. (s)-n-(2',6'-dimethylphenl)-2-piperidine Carboxamide

14. Unii-4a8hc6m4al

15. Mfcd09038786

16. (2s)-n-(2,6-dimethylphenyl)-2-piperidinecarboxamide)

17. (2s)-pipecoloxylidide

18. N-despropyl Ropivacaine

19. (+)-2',6'-pipecoloxylidide

20. (s)-2',6'-pipecoloxylidide

21. Schembl2616379

22. Chebi:80578

23. Dtxsid10181713

24. Bcp22660

25. Zinc84316941

26. Akos015919828

27. Akos030228178

28. Ac-2122

29. Am62797

30. Cs-w003585

31. Ds-0592

32. Fs-2874

33. (s)-n-(2 Inverted Exclamation Marka,6 Inverted Exclamation Marka-dimethylphenl)-2-piperidine Carboxamide

34. D4347

35. 262d404

36. Q-100343

37. Q27149622

38. Ropivacaine Hydrochloride Monohydrate Impurity B [ep Impurity]

39. (s)-n-(2 Inverted Exclamation Mark ,6 Inverted Exclamation Mark -dimethylphenyl)-piperidine-2- Carboxylic Amide

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₀N₂O
Molecular Weight	232.32 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	232.157563266 g/mol
Monoisotopic Mass	232.157563266 g/mol
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	257
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1