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CAS 122368-54-1
PharmaCompass
CAS 122368-54-1
Also known as: 122368-54-1, 2-((4-chlorophenyl)(piperidin-4-yloxy)methyl)pyridine, 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine, Pyridine, 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-, Ak105177, 2-[(4-chlorophenyl)(4-piperidinyloxy)meth yl]pyridine
Molecular Formula
C17H19ClN2O
Molecular Weight
302.802  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)(piperidin-4-yloxy)methyl)pyridine

3. 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine

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

5. Ak105177

6. 2-[(4-chlorophenyl)(4-piperidinyloxy)meth Yl]pyridine

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

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

9. Pubchem19721

10. 2-[(4-chlorophenyl)-(4-piperidyloxy)methyl]pyridine

11. Schembl1499960

12. Ctk8c4829

13. Dtxsid90456739

14. Molport-019-991-014

15. Otzyadiphogudn-uhfffaoysa-n

16. Cs-b0347

17. Ks-00000pw1

18. Anw-73289

19. Mfcd13184723

20. Sbb068679

21. Akos015918327

22. Ac-24024

23. An-32811

24. As-20124

25. Kb-80199

26. Sc-47418

27. Sc-68002

28. Ax8228020

29. Tx-015455

30. Ft-0659219

31. St24038984

32. Z6080

33. 368c541

34. A804882

35. 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridi

36. 2-[4-chloro-alpha-(4-piperidyloxy)benzyl]pyridine

37. I14-8155

38. (s)-2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]py

39. 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]- Pyridine

40. 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-pyridine

41. 2-[(4-chlorophenyl)-(4-piperidinyloxy)methyl]pyridine

42. 2-[(4-chlorophenyl)-piperidin-4-yloxy-methyl]pyridine

43. 4-[1-(4-chlorophenyl)-1-(2-pyridyl)methoxy]piperidine

44. (+/-)-4-[(4-chlorophenyl)(2-pyridyl)-methoxy]piperidine

45. (+/-)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine

46. 2-{(4-chlorophenyl)[(piperidin-4-yl)oxy]methyl}pyridine

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 302.802 g/mol
Molecular Formula C17H19ClN2O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass302.119 g/mol
Monoisotopic Mass302.119 g/mol
Topological Polar Surface Area34.2 A^2
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
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