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Also known as: 27469-60-9, 1-(bis(4-fluorophenyl)methyl)piperazine, 1-(4,4'-difluorobenzhydryl)piperazine, 1-[bis-(4-fluorophenyl)methyl]piperazine, 1-bis(4-fluorophenyl)methyl piperazine, 4,4'-difluorobenzhydrylpiperazine
Molecular Formula
C17H18F2N2
Molecular Weight
288.33  g/mol
InChI Key
TTXIFFYPVGWLSE-UHFFFAOYSA-N
FDA UNII
JT57UD83SY

CAS 27469-60-9
1 2D Structure

CAS 27469-60-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[bis(4-fluorophenyl)methyl]piperazine
2.1.2 InChI
InChI=1S/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
2.1.3 InChI Key
TTXIFFYPVGWLSE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCN1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
2.2 Other Identifiers
2.2.1 UNII
JT57UD83SY
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(bis(4-fluorophenyl)methyl)piperazine

2. Dtma-detriazinyl

3. M-1-bfpmp

2.3.2 Depositor-Supplied Synonyms

1. 27469-60-9

2. 1-(bis(4-fluorophenyl)methyl)piperazine

3. 1-(4,4'-difluorobenzhydryl)piperazine

4. 1-[bis-(4-fluorophenyl)methyl]piperazine

5. 1-bis(4-fluorophenyl)methyl Piperazine

6. 4,4'-difluorobenzhydrylpiperazine

7. Piperazine, 1-[bis(4-fluorophenyl)methyl]-

8. 4,4-difluorobenzhydrylpiperazine

9. 1 [bis(4-fluorophenyl)methyl]-piperazine

10. Jt57ud83sy

11. 4,4'-difluorobenzhydryl Piperazine

12. N-(bis(4-fluorophenyl)methyl)piperazine

13. N-[bis(4-fluorophenyl)methyl]piperazine

14. 1-bis(4-fluorophenyl)methylpiperazine

15. Einecs 248-476-0

16. [bis(4-fluorophenyl)methyl]piperazine

17. Unii-jt57ud83sy

18. Dsstox_cid_31488

19. Dsstox_rid_97373

20. Dsstox_gsid_57699

21. Schembl336219

22. Chembl3185776

23. Dtxsid8057699

24. Bis(4-fluorophenyl)methylpiperazine

25. Albb-006009

26. Bis(4-fluorophenyl) Methylpiperazine

27. Tox21_113827

28. 1-bis(p-fluorophenyl)methylpiperazine

29. Mfcd00038660

30. Stk503667

31. Zinc19363656

32. Akos000122871

33. N-(4,4'-difluorobenzhydryl)piperazine

34. 1-bis(4-fluorophenyl)methyl Piperzaine

35. Ac-2053

36. Ccg-356096

37. Cs-w010009

38. Ds-0039

39. N-bis-(4-fluorophenyl)methylpiperazine

40. 1-[bis(p-fluorophenyl)methyl]piperazine

41. 1-(4,4'-difluorobenzylhydryl)piperazine

42. 1-[bis(4-fluorophenyl)methylpiperazine]

43. Ncgc00253707-01

44. [bis-(4-fluorophenyl)-methyl]-piperazine

45. 1-[bis(4-fluorophenyl) Methyl]piperazine

46. 1-[bis(4-fluorophenyl)-methyl]piperazine

47. 1-[bis(4-fluorophenyl)methyl]-piperazine

48. 1-[di(4-fluorobenzenyl)methyl]piperazine

49. 1-bis (p-fluorophenyl) Methyl Piperazine

50. 1-(4,4'-difluorodiphenylmethyl)piperazine

51. 1 -[bis-(4-fluorophenyl)methyl]piperazine

52. 1-(4,4'-difluoro Benz Hydryl) Piperazine

53. Cas-27469-60-9

54. N-mono-(4,4'-difluorobenzhydryl)piperazine

55. 1-[bis-(4-fluorophenyl)-methyl]-piperazine

56. A5325

57. Am20060426

58. B2764

59. Bb 0253744

60. Ft-0629630

61. 1-[bis-(4-fluoro-phenyl)-methyl]-piperazine

62. 1-bis(4-fluorophenyl)methyl Piperazine, 97%

63. N-mono-(4,4'-difluorofluorobenzhydryl)piperazine

64. Sr-01000944772

65. Sr-01000944772-1

66. W-107112

67. Z199056530

2.4 Create Date
2005-07-07
3 Chemical and Physical Properties
Molecular Weight 288.33 g/mol
Molecular Formula C17H18F2N2
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass288.14380491 g/mol
Monoisotopic Mass288.14380491 g/mol
Topological Polar Surface Area15.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity282
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Metabolism/Metabolites

1-[bis(4-fluorophenyl)methyl]piperazine is a known human metabolite of flunarizine.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560


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