CAS 5368-28-5

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-phenylpiperazin-2-one

2.1.2 InChI

InChI=1S/C10H12N2O/c13-10-9(11-6-7-12-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)

2.1.3 InChI Key

WKFFHKBGGZHQAX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNC(=O)C(N1)C2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5368-28-5

2. Mls002693691

3. Mfcd01871361

4. 3-phenyl-piperazin-2-one

5. 3-phenyl-2-piperazinone

6. Nsc70401

7. 3-phenyl-2-piperazinene

8. 2-oxo-3-phenyl-piperazine

9. 3-phenyl-piperazine-2-one

10. 2-phenyl-3-keto Piperazine

11. Nciopen2_000499

12. Schembl596560

13. Chembl1871830

14. 2-oxo-3-phenylpiperazine

15. Amy6453

16. Dtxsid80290689

17. Wkffhkbggzhqax-uhfffaoysa-n

18. Hms3086c05

19. Nsc-70401

20. Akos011326145

21. Ds-1796

22. Sb11320

23. Sb11321

24. Smr001559636

25. Sy042095

26. Db-071733

27. Cs-0046854

28. En300-59956

29. A25724

30. J-513058

31. Z926909642

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂N₂O
Molecular Weight	176.21 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	41.1
Heavy Atom Count	13
Formal Charge	0
Complexity	187
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 5368-28-5

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