CAS 67848-71-9

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Also known as: 67848-71-9, 1-benzyl-4-chloro-piperidine, N-benzyl-4-chloro-piperidine, 1-benzyl-4-chloro piperidine, N-benzyl-4-chloro piperidine, N-benzyl-4-chloropiperidine

Molecular Formula

C₁₂H₁₆ClN

Molecular Weight

209.71 g/mol

InChI Key

HEDDTLVBWCOBRG-UHFFFAOYSA-N

1 2D Structure

CAS 67848-71-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-benzyl-4-chloropiperidine

2.1.2 InChI

InChI=1S/C12H16ClN/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2

2.1.3 InChI Key

HEDDTLVBWCOBRG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCC1Cl)CC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 67848-71-9

2. 1-benzyl-4-chloro-piperidine

3. N-benzyl-4-chloro-piperidine

4. 1-benzyl-4-chloro Piperidine

5. N-benzyl-4-chloro Piperidine

6. N-benzyl-4-chloropiperidine

7. 4-chloro-1-benzylpiperidine

8. Piperidine, 4-chloro-1-(phenylmethyl)-

9. Benzyl-4-chloropiperidine

10. Schembl2010139

11. Dtxsid40388475

12. Albb-021264

13. Bcp20582

14. Zinc2566483

15. Mfcd00510091

16. Akos000265329

17. Ab06363

18. Ds-7963

19. Ac-13174

20. Db-013473

21. Cs-0156295

22. Ft-0617969

23. C76148

24. 848b719

25. A835907

26. Piperidine, 4-chloro-1-(phenylmethyl)-, Hydrochloride

27. F1993-0057

28. 1-benzyl-4-chloro-piperidine;1-benzyl-4-chloropiperidine

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₆ClN
Molecular Weight	209.71 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	209.0971272 g/mol
Monoisotopic Mass	209.0971272 g/mol
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	158
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	1

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