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2D Structure
Also known as: 55112-42-0, 4-methylpiperazine-1-carbonyl chloride hydrochloride, 4-methyl-1-piperazinecarbonyl chloride hcl, 4-methylpiperazine-1-carbonyl chloride monohydrochloride, 1-piperazinecarbonyl chloride, 4-methyl-, monohydrochloride, 4-methylpiperazine-1-carbonyl chloride;hydrochloride
Molecular Formula
C6H12Cl2N2O
Molecular Weight
199.08  g/mol
InChI Key
WICNYNXYKZNNSN-UHFFFAOYSA-N
FDA UNII
7T2R5ALS8T

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-methylpiperazine-1-carbonyl chloride;hydrochloride
2.1.2 InChI
InChI=1S/C6H11ClN2O.ClH/c1-8-2-4-9(5-3-8)6(7)10;/h2-5H2,1H3;1H
2.1.3 InChI Key
WICNYNXYKZNNSN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCN(CC1)C(=O)Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
7T2R5ALS8T
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 55112-42-0

2. 4-methylpiperazine-1-carbonyl Chloride Hydrochloride

3. 4-methyl-1-piperazinecarbonyl Chloride Hcl

4. 4-methylpiperazine-1-carbonyl Chloride Monohydrochloride

5. 1-piperazinecarbonyl Chloride, 4-methyl-, Monohydrochloride

6. 4-methylpiperazine-1-carbonyl Chloride;hydrochloride

7. N-methylpiperazin-4-carbamoyl Chloride Hydrochloride

8. 4-methyl-1-piperazinecarbonyl Chloride, Hcl

9. 1-chlorocarbonyl-4-methylpiperazine Hydrochloride

10. Einecs 259-482-8

11. 7t2r5als8t

12. 4-methyl-1-piperazinecarbonylchloridehydrochloride

13. Schembl321914

14. Dtxsid80203633

15. Wicnynxykznnsn-uhfffaoysa-n

16. Bcp16973

17. Geo-01914

18. Mfcd01074875

19. Akos015897706

20. Ac-24406

21. Ps-10936

22. Ft-0640293

23. Ft-0658732

24. F16753

25. 4-methylpiperazine Carbonylchloride Hydrochloride

26. En300-1265364

27. 1-chlorocarbonyl-4-methyl Piperazine Hydrochloride

28. 1-chlorocarbonyl-4-methyl-piperazine Hydrochloride

29. 4-chlorocarbonyl-1-methyl-piperazine Hydrochloride

30. A830496

31. N-chlorocarbonyl-n'-methylpiperazine Hydrochloride

32. 4-methyl-l-piperazinecarbonyl Chloride Hydrochloride

33. W-200427

34. 4-methyl-1-piperazine Carbonyl Chloride Hydrochloride

35. 4-methyl-l-piperazine Carbonyl Chloride Hydrochloride

36. 4-methyl-piperazine-1-carbonyl Chloride Hydrochloride

37. 4-methylpiperazin-1-ylcarbonyl Chloride Hydrochloride

38. N-methylpiperazine-4-carbamoyl Chloride Hydrochloride

39. F0001-1447

40. N-methylpiperazin-4-carbamoylchloridehydrochloride

41. 1-piperazinecarbonyl Chloride, 4-methyl-, Hydrochloride (1:1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 199.08 g/mol
Molecular Formula C6H12Cl2N2O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area23.6
Heavy Atom Count11
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2