CAS 5382-23-0

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CHEMISTRY

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1 End Use APIs
12 Related Intermediates

Chemistry

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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

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 Formula	C₆H₁₃Cl₂N
Molecular Weight	170.08 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	3.2
Heavy Atom Count	9
Formal Charge	0
Complexity	66.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2