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Also known as: 5382-23-0, 1-methyl-4-chloropiperidine hydrochloride, 4-chloro-n-methylpiperidine hydrochloride, 4-chloro-1-methylpiperidinium chloride, N-methyl-4-chloropiperidine hydrochloride, Piperidine, 4-chloro-1-methyl-, hydrochloride
Molecular Formula
C6H13Cl2N
Molecular Weight
170.08  g/mol
InChI Key
QDOJNWFOCOWAPO-UHFFFAOYSA-N
FDA UNII
5QDX0Y5PMJ

CAS 5382-23-0
1 2D Structure

CAS 5382-23-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-1-methylpiperidine;hydrochloride
2.1.2 InChI
InChI=1S/C6H12ClN.ClH/c1-8-4-2-6(7)3-5-8;/h6H,2-5H2,1H3;1H
2.1.3 InChI Key
QDOJNWFOCOWAPO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCC(CC1)Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
5QDX0Y5PMJ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5382-23-0

2. 1-methyl-4-chloropiperidine Hydrochloride

3. 4-chloro-n-methylpiperidine Hydrochloride

4. 4-chloro-1-methylpiperidinium Chloride

5. N-methyl-4-chloropiperidine Hydrochloride

6. Piperidine, 4-chloro-1-methyl-, Hydrochloride

7. 5qdx0y5pmj

8. 4-chloro-1-methylpiperidine;hydrochloride

9. 4-chloro-1-methylpiperidine, Hcl

10. Nsc-76039

11. 4-chloro-1-methylpiperidine-d4hydrochloride

12. Einecs 226-375-2

13. 1-methyl -4- Chloro Piperidine

14. Unii-5qdx0y5pmj

15. Schembl490234

16. Dtxsid20202100

17. Qdojnwfocowapo-uhfffaoysa-n

18. Nsc76039

19. Mfcd00012834

20. Nsc 76039

21. Akos005259871

22. Sb41080

23. 1-methyl-4-chloropiperidinehydrochloride

24. 4-chloro-1-methylpiperidine Hcl

25. Ac-15426

26. As-11810

27. 4-chloro-1-methyl-piperidine Hydrochloride

28. C1085

29. Ft-0618234

30. 4-chloro-1-methylpiperidine Hydrochloride, 99%

31. A829780

32. W-105703

33. Piperidine, 4-chloro-1-methyl-, Hydrochloride (1:1

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 170.08 g/mol
Molecular Formula C6H13Cl2N
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area3.2
Heavy Atom Count9
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 Count2

BUILDING BLOCK

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