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Also known as: 59817-32-2, 3-(piperazin-1-yl)phenol, 3-piperazin-1-ylphenol, 1-(3-hydroxyphenyl) piperazine, 3-(1-piperazino)phenol, 3-(1-piperazinyl)phenol
Molecular Formula
C10H14N2O
Molecular Weight
178.23  g/mol
InChI Key
AYGYICRITMSJOC-UHFFFAOYSA-N

CAS 59817-32-2
1 2D Structure

CAS 59817-32-2

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

1. 59817-32-2

2. 3-(piperazin-1-yl)phenol

3. 3-piperazin-1-ylphenol

4. 1-(3-hydroxyphenyl) Piperazine

5. 3-(1-piperazino)phenol

6. 3-(1-piperazinyl)phenol

7. N-(3-hydroxyphenyl)piperazine

8. 1-(3-hydroxyphenyl)-piperazine

9. Mfcd00052896

10. Phenol, 3-(1-piperazinyl)-

11. 3-hydroxyphenylpiperazine

12. 3-piperazin-1-yl-phenol

13. 3-hydroxyphenyl Piperazine

14. 3-piperazine-1-yl-phenol

15. Oprea1_613831

16. Schembl788160

17. Dtxsid00371469

18. Aygyicritmsjoc-uhfffaoysa-n

19. Akos001393913

20. Fs-1233

21. 1-(3-hydroxyphenyl) Piperazine, 97%

22. Sy062274

23. Cs-0106190

24. Ft-0629178

25. En300-21779

26. A832481

27. Z118507070

2.3 Create Date
2005-07-19
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
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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