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Home > Pyridines > 888729-52-0
888729-52-0 | 1-(piperidin-4-ylmethyl)pyridin-2(1H)-one
CAS No: 888729-52-0 Catalog No: AG01E2MJ MDL No:MFCD16075994
Product Description
Catalog Number:
AG01E2MJ
Chemical Name:
1-(piperidin-4-ylmethyl)pyridin-2(1H)-one
CAS Number:
888729-52-0
Molecular Formula:
C11H16N2O
Molecular Weight:
192.2575
MDL Number:
MFCD16075994
IUPAC Name:
1-(piperidin-4-ylmethyl)pyridin-2-one
InChI:
InChI=1S/C11H16N2O/c14-11-3-1-2-8-13(11)9-10-4-6-12-7-5-10/h1-3,8,10,12H,4-7,9H2
InChI Key:
WLPUWPRHPIZJQK-UHFFFAOYSA-N
SMILES:
O=c1ccccn1CC1CCNCC1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.262g/mol
Monoisotopic Mass:
192.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacological evaluation of novel 9- and 10-substituted cytisine derivatives. Nicotinic ligands of enhanced subtype selectivity. | Journal of medicinal chemistry 20060504 |
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