CAS 106266-04-0

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3 End Use APIs
32 Related Intermediates

Chemistry

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Also known as: 106266-04-0, 4-(2,4-difluorobenzoyl)piperidine hcl, 4-(2,4-difluorobenzoyl)-piperidine hydrochloride, (2,4-difluoro-phenyl)-piperidin-4-yl-methanone hydrochloride, 4-(2,4-difluorobenzoyl)piperidine, hcl, (2,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride

Molecular Formula

C₁₂H₁₄ClF₂NO

Molecular Weight

261.69 g/mol

InChI Key

QPJONRGTWKXJLG-UHFFFAOYSA-N

1 2D Structure

CAS 106266-04-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride

2.1.2 InChI

InChI=1S/C12H13F2NO.ClH/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H

2.1.3 InChI Key

QPJONRGTWKXJLG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1C(=O)C2=C(C=C(C=C2)F)F.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 106266-04-0

2. 4-(2,4-difluorobenzoyl)piperidine Hcl

3. 4-(2,4-difluorobenzoyl)-piperidine Hydrochloride

4. (2,4-difluoro-phenyl)-piperidin-4-yl-methanone Hydrochloride

5. 4-(2,4-difluorobenzoyl)piperidine, Hcl

6. (2,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride

7. Mfcd01313310

8. Methanone, (2,4-difluorophenyl)-4-piperidinyl-, Hydrochloride

9. (2,4-difluorophenyl)(piperidin-4-yl)methanone Hydrochloride

10. 4-(2,4-difluorobenzoyl)piperidinehydrochloride

11. (2,4-difluorophenyl)-4-piperidinyl-methanone Hcl

12. Schembl1836446

13. Dtxsid80596017

14. Act04271

15. Amy33434

16. Bcp11943

17. Akos015888702

18. Ac-1637

19. Cs-w012491

20. Sb30444

21. 4-(2,4-difluorobenzoyl)-piperidine Hcl

22. As-13189

23. Sy065767

24. Db-005309

25. A2026

26. D3979

27. Ft-0601043

28. 266d040

29. 4-(2,4-difluoro-benzoyl)-piperidine-hydrochloride

30. A801433

31. J-513261

32. 2,4-difluorophenyl(4-piperidinyl)methanone Hydrochloride

33. (2,4-difluorophenyl)(4-piperidinyl)methanone Hydrochloride

34. (2,4-difluorophenyl)-(4-piperidinyl)methanone Hydrochloride

35. 2,4-difluorophenyl-(4-piperidinyl)methanone Hydrochloride

36. 4-(2,4-difluorobenzoyl)piperidine Hydrochloride, Aldrichcpr

37. [2,4-bis(fluoranyl)phenyl]-piperidin-4-yl-methanone Hydrochloride

38. (2,4-difluorophenyl)(piperidin-4-yl)methanone--hydrogen Chloride (1/1)

39. (2,4-difluorophenyl)(piperidin-4-yl)methanone Hydrochloride;4-(2,4-difluorobenzoyl)piperidine Hcl

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄ClF₂NO
Molecular Weight	261.69 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	261.0731981 g/mol
Monoisotopic Mass	261.0731981 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	253
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	2