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Also known as: 161558-45-8, 4-[(4-chlorophenyl)-2-pyridylmethoxy]piperidine p-nitrobenzoic acid salt, 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine;4-nitrobenzoic acid, 2-((4-chlorophenyl)(piperidin-4-yloxy)-methyl)pyridine 4-nitrobenzoate, C24h24cln3o5, Amy6957
Molecular Formula
C24H24ClN3O5
Molecular Weight
469.9  g/mol
InChI Key
UQSUJCNJGVBZCU-UHFFFAOYSA-N

161558-45-8
1 2D Structure

161558-45-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine;4-nitrobenzoic acid
2.1.2 InChI
InChI=1S/C17H19ClN2O.C7H5NO4/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-7,10,15,17,19H,8-9,11-12H2;1-4H,(H,9,10)
2.1.3 InChI Key
UQSUJCNJGVBZCU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 161558-45-8

2. 4-[(4-chlorophenyl)-2-pyridylmethoxy]piperidine P-nitrobenzoic Acid Salt

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

4. 2-((4-chlorophenyl)(piperidin-4-yloxy)-methyl)pyridine 4-nitrobenzoate

5. C24h24cln3o5

6. Amy6957

7. Dtxsid70743179

8. Bcp21809

9. 2-((4-chlorophenyl)(piperidin-4-yloxy)methyl)pyridine4-nitrobenzoate

10. Mfcd19105231

11. Akos016001478

12. Ac-26432

13. Ds-18302

14. Cs-0100279

15. D82419

16. Ethyl 4-(trifluoromethyl)phenylsulfonylcarbamate

17. A883091

18. (r)-(+)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine

19. 4-nitrobenzoic Acid--2-{(4-chlorophenyl)[(piperidin-4-yl)oxy]methyl}pyridine (1/1)

2.3 Create Date
2013-02-18
3 Chemical and Physical Properties
Molecular Weight 469.9 g/mol
Molecular Formula C24H24ClN3O5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area117
Heavy Atom Count33
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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