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Also known as: 201594-84-5, (s)-2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine, Pyridine, 2-[(s)-(4-chlorophenyl)(4-piperidinyloxy)methyl]-, 2-[(s)-(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine, Pyridine,2-[(s)-(4-chlorophenyl)(4-piperidinyloxy)methyl]-, 2-[(s)-(4-chlorophenyl)-(4-piperidinyloxy)-methyl]-pyridine
Molecular Formula
C17H19ClN2O
Molecular Weight
302.8  g/mol
InChI Key
OTZYADIPHOGUDN-KRWDZBQOSA-N

CAS 201594-84-5
1 2D Structure

CAS 201594-84-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(S)-(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/t17-/m0/s1
2.1.3 InChI Key
OTZYADIPHOGUDN-KRWDZBQOSA-N
2.1.4 Canonical SMILES
C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3
2.1.5 Isomeric SMILES
C1CNCCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 201594-84-5

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

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

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

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

6. 2-[(s)-(4-chlorophenyl)-(4-piperidinyloxy)-methyl]-pyridine

7. Schembl2805296

8. Dtxsid70447428

9. (s)-(-)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine

10. Amy21945

11. Bcp13376

12. Cs-b0348

13. Mfcd09955359

14. Zinc22007005

15. Akos015901675

16. Ac-6931

17. Ds-18255

18. 594c845

19. A879802

20. (s)-4-[(4-chlorophenyl) (2-pyridyl)methoxy]piperidine

21. (s)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine

22. 4-[[(s)-4-chloro-alpha-(2-pyridyl)benzyl]oxy]piperidine

23. (s)-(-)-4-[(4-chlorophenyl) (2-pyridyl)methoxy]piperidine

24. 2-{(s)-(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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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