CAS 122368-54-1

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Chemistry

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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

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 Formula	C₁₇H₁₉ClN₂O
Molecular Weight	302.8 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	302.1185909 g/mol
Monoisotopic Mass	302.1185909 g/mol
Topological Polar Surface Area	34.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	301
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1