Tipepidine

Synopsis, Chemistry

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Also known as: Asverin, 5169-78-8, At 327, 3-(di-2-thienylmethylene)-1-methylpiperidine, Cr/662, Crj662

Molecular Formula

C₁₅H₁₇NS₂

Molecular Weight

275.4 g/mol

InChI Key

JWIXXNLOKOAAQT-UHFFFAOYSA-N

FDA UNII

2260ZP67IT

1 2D Structure

Tipepidine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(dithiophen-2-ylmethylidene)-1-methylpiperidine

2.1.2 InChI

InChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3

2.1.3 InChI Key

JWIXXNLOKOAAQT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCCC(=C(C2=CC=CS2)C3=CC=CS3)C1

2.2 Other Identifiers

2.2.1 UNII

2260ZP67IT

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Tipepidine Citrate (1:1)

2. Tipepidine Hibenzate

3. Tipepidine Ibenzato

2.3.2 Depositor-Supplied Synonyms

1. Asverin

2. 5169-78-8

3. At 327

4. 3-(di-2-thienylmethylene)-1-methylpiperidine

5. Cr/662

6. Crj662

7. Bitiodin

8. Tipedine

9. 2260zp67it

10. Tipepidine (inn)

11. At-327

12. Cr-662

13. Ncgc00167424-01

14. Tipepidine [inn]

15. Tipepidina

16. Tipepidinum

17. Tipepidine [inn:dcf]

18. Tipepidinum [inn-latin]

19. Tipepidina [inn-spanish]

20. Brn 0212554

21. Tipepidin

22. Unii-2260zp67it

23. 1-methyl-3-piperidylidenedi(2-thienyl)methane

24. 3-(di-2-thienylmethylene)-1-methyl-piperidine

25. 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine

26. Piperidine, 3-(di-2-thienylmethylene)-1-methyl-

27. Tipepidine [mi]

28. Dsstox_cid_2626

29. Piperidine, 3-(di-2-thienylmethyle)-1-methyl-

30. Dsstox_rid_82577

31. Tipepidine [who-dd]

32. Dsstox_gsid_22626

33. Oprea1_194078

34. Oprea1_494302

35. Cbdive_006087

36. 4-27-00-06328 (beilstein Handbook Reference)

37. Schembl410090

38. Chembl1899506

39. Dtxsid2022626

40. Chebi:135141

41. Tox21_112428

42. Zinc55161150

43. Akos000560001

44. Db13474

45. Cas-5169-78-8

46. Hy-121685

47. Cs-0083052

48. 3-(di-2-thienylmethylidene)-1-methylpiperidine

49. D08604

50. 3-(dithiophen-2-ylmethylene)-1-methylpiperidine

51. A852039

52. Q7808816

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₇NS₂
Molecular Weight	275.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	275.08024189 g/mol
Monoisotopic Mass	275.08024189 g/mol
Topological Polar Surface Area	59.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	309
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1