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1011-19-4 | Pyridine, 2-(1-piperidinyl)-, 1-oxide
CAS No: 1011-19-4 Catalog No: AG0003R0 MDL No:MFCD00234673
Product Description
Catalog Number:
AG0003R0
Chemical Name:
Pyridine, 2-(1-piperidinyl)-, 1-oxide
CAS Number:
1011-19-4
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD00234673
IUPAC Name:
1-oxido-2-piperidin-1-ylpyridin-1-ium
InChI:
InChI=1S/C10H14N2O/c13-12-9-5-2-6-10(12)11-7-3-1-4-8-11/h2,5-6,9H,1,3-4,7-8H2
InChI Key:
NDKBYXSOHCHBJC-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccccc1N1CCCCC1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Discovery of 3-methyl-N-(1-oxy-3',4',5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1'-ylmethyl)benzamide (ABT-670), an orally bioavailable dopamine D4 agonist for the treatment of erectile dysfunction. | Journal of medicinal chemistry 20061214 |
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