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2D Structure
Also known as: 5570-77-4, 4-chloro-n-methylpiperidine, Piperidine, 4-chloro-1-methyl-, N-methyl-4-chloropiperidine, 1-methyl-4-chloropiperidine, 4-chloro-1-methyl-piperidine
Molecular Formula
C6H12ClN
Molecular Weight
133.62  g/mol
InChI Key
MYGXGCCFTPKWIH-UHFFFAOYSA-N
FDA UNII
3J2YSE7ZGE

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-1-methylpiperidine
2.1.2 InChI
InChI=1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
2.1.3 InChI Key
MYGXGCCFTPKWIH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCC(CC1)Cl
2.2 Other Identifiers
2.2.1 UNII
3J2YSE7ZGE
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5570-77-4

2. 4-chloro-n-methylpiperidine

3. Piperidine, 4-chloro-1-methyl-

4. N-methyl-4-chloropiperidine

5. 1-methyl-4-chloropiperidine

6. 4-chloro-1-methyl-piperidine

7. N-methyl-4-chloro-piperidine

8. 1-methyl-4-chloro-piperidine

9. 3j2yse7zge

10. Einecs 226-942-4

11. Unii-3j2yse7zge

12. N-methyl 4-chloropiperidine

13. 4-chloro-n-methyl-piperidine

14. 4-chloro-1-methyl Piperidine

15. Schembl364269

16. Dtxsid9063950

17. Act02144

18. Amy40670

19. Bcp05291

20. Zinc1702522

21. Mfcd00044489

22. Stl134851

23. 1-methyl-4-piperidyl Chloride

24. 2-amino-5-nitronicotinicacid,

25. Akos005216211

26. Ab01976

27. Ac-6961

28. Cs-w013387

29. 1-methyl-4-piperidinyl Chloride

30. 4-chloro-1-methylpiperidine, Aldrichcpr

31. As-13200

32. Db-014468

33. Ft-0617982

34. 570c774

35. A830767

36. Sr-01000944775

37. Sr-01000944775-1

38. W-105550

39. 1-methyl-4-chloropiperidine Hydrochloride (salt/mix)

40. 4-chloro-n-methylpiperidine Hydrochloride (salt/mix)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 133.62 g/mol
Molecular Formula C6H12ClN
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass133.0658271 g/mol
Monoisotopic Mass133.0658271 g/mol
Topological Polar Surface Area3.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity66.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1