CAS 59817-32-2

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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

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 Formula	C₁₀H₁₄N₂O
Molecular Weight	178.23 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	35.5
Heavy Atom Count	13
Formal Charge	0
Complexity	157
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