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Also known as: 122368-54-1, 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine, 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine, Pyridine, 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-, Pyridine,2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-, 4-[(4-chlorophenyl)-2-pyridylmethoxy]piperidine
Molecular Formula
C17H19ClN2O
Molecular Weight
302.8  g/mol
InChI Key
OTZYADIPHOGUDN-UHFFFAOYSA-N

CAS 122368-54-1
1 2D Structure

CAS 122368-54-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
2.1.2 InChI
InChI=1S/C17H19ClN2O/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15/h1-7,10,15,17,19H,8-9,11-12H2
2.1.3 InChI Key
OTZYADIPHOGUDN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 122368-54-1

2. 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine

3. 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine

4. Pyridine, 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-

5. Pyridine,2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-

6. 4-[(4-chlorophenyl)-2-pyridylmethoxy]piperidine

7. Schembl1499960

8. 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-pyridine

9. Dtxsid90456739

10. Bcp12927

11. Cs-b0347

12. Mfcd13184723

13. Akos015918327

14. Sb41046

15. Sb44353

16. Ac-24024

17. As-20124

18. Ft-0659219

19. C11183

20. Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine

21. 368c541

22. A804882

23. 2-[4-chloro-alpha-(4-piperidyloxy)benzyl]pyridine

24. (r,s)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine

25. 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]- Pyridine

26. 4-[1-(4-chlorophenyl)-1-(2-pyridyl)methoxy]piperidine

27. (+/-)-4-[(4-chlorophenyl)(2-pyridyl)-methoxy]piperidine

28. (+/-)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine

29. 2-[(s)-(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine

30. 2-{(4-chlorophenyl)[(piperidin-4-yl)oxy]methyl}pyridine

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 302.8 g/mol
Molecular Formula C17H19ClN2O
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass302.1185909 g/mol
Monoisotopic Mass302.1185909 g/mol
Topological Polar Surface Area34.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity301
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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