CAS 74853-08-0

1 2D Structure

CAS 74853-08-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[4-(4-aminophenyl)piperazin-1-yl]phenol

2.1.2 InChI

InChI=1S/C16H19N3O/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(20)8-6-15/h1-8,20H,9-12,17H2

2.1.3 InChI Key

WZIJMPVPOMTRNM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1C2=CC=C(C=C2)N)C3=CC=C(C=C3)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 74853-08-0

2. 4-[4-(4-aminophenyl)piperazin-1-yl]phenol

3. 4-[4-(4-aminophenyl)-1-piperazinyl]phenol

4. 4-(4-(4-aminophenyl)piperazin-1-yl)phenol

5. Mfcd02093082

6. 4-[4-(4-aminophenyl)-1-piperazinyl]phendiamineol

7. 1-(4-aminophenyl)-4-(4-hydroxyphenyl)- Piperazine

8. Schembl3055201

9. Amy3363

10. Dtxsid00436961

11. Bcp11803

12. Zinc21300104

13. Akos015902858

14. Ac-8323

15. Cs-w020369

16. 4-[4-(4-aminophenyl)piperazino]phenol

17. Ds-13678

18. Sy047656

19. Ft-0659398

20. Phenol,4-[4-(4-aminophenyl)-1-piperazinyl]-

21. 853a080

22. A1-01687

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₉N₃O
Molecular Weight	269.34 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	269.152812238 g/mol
Monoisotopic Mass	269.152812238 g/mol
Topological Polar Surface Area	52.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	288
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

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