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Technical details about CAS 56621-48-8, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 56621-48-8, 4-(piperazin-1-yl)phenol, 4-(1-piperazinyl)phenol, 4-piperazin-1-ylphenol, N-(4-hydroxyphenyl)piperazine, P-(1-piperazinyl)phenol
Molecular Formula
C10H14N2O
Molecular Weight
178.23  g/mol
InChI Key
GPEOAEVZTOQXLG-UHFFFAOYSA-N
FDA UNII
A2SA24RA7S

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-piperazin-1-ylphenol
2.1.2 InChI
InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
2.1.3 InChI Key
GPEOAEVZTOQXLG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCN1)C2=CC=C(C=C2)O
2.2 Other Identifiers
2.2.1 UNII
A2SA24RA7S
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 56621-48-8

2. 4-(piperazin-1-yl)phenol

3. 4-(1-piperazinyl)phenol

4. 4-piperazin-1-ylphenol

5. N-(4-hydroxyphenyl)piperazine

6. P-(1-piperazinyl)phenol

7. 4-piperazinophenol

8. Phenol, 4-(1-piperazinyl)-

9. 1-(4-hydroxyphenyl)-piperazine

10. Mfcd00066156

11. 4-(1-piperazino)phenol

12. Einecs 260-289-6

13. 4-piperazinyl Phenol

14. 4-piperazin-1-yl-phenol

15. 4-hydroxy Phenylpiperazine

16. 4-piperazine-1-yl-phenol

17. 4-(piperazine-1-yl)phenol

18. A2sa24ra7s

19. 4-(piperazin-1-yl)-phenol

20. Oprea1_539482

21. Schembl40343

22. 4-(4-hydroxyphenyl)piperazine

23. 4-hydroxyphenylpiperazine

24. N-(4-hydroxyphenyl)-piperazine

25. Dtxsid80205197

26. Gpeoaevztoqxlg-uhfffaoysa-n

27. Hms1786o12

28. Bbl036783

29. Stk585941

30. Akos001044007

31. Ac-8984

32. Cs-w017311

33. Fs-3772

34. Sy021141

35. Am20060673

36. Ft-0629230

37. H0891

38. En300-17230

39. A26636

40. F14231

41. 1-(4-hydroxyphenyl)piperazine, >=98.0% (nt)

42. W-105507

43. Z56899148

44. F2158-0909

45. N-(4-hydroxyphenyl)piperazine;4-piperazin-1-yl-phenol;4-piperazinophenol

2.4 Create Date
2005-07-07
3 Chemical and Physical Properties
Molecular Weight 178.23 g/mol
Molecular Formula C10H14N2O
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area35.5
Heavy Atom Count13
Formal Charge0
Complexity149
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-(4-hydroxyphenyl)piperazine is a known human metabolite of 1-(4-methoxyphenyl)piperazine.

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


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