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2D Structure
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

2D Structure

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 Weight 209.71 g/mol
Molecular Formula C12H16ClN
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass209.0971272 g/mol
Monoisotopic Mass209.0971272 g/mol
Topological Polar Surface Area3.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1