CAS 201594-84-5

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Chemistry

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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

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 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	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1