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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

CAS 5570-77-4
1 2D Structure

CAS 5570-77-4

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

BUILDING BLOCK

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