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41661-56-7 | 4-Piperidinone, 1-(2-pyridinylmethyl)-
CAS No: 41661-56-7 Catalog No: AG00I84M MDL No:MFCD05864492
Product Description
Catalog Number:
AG00I84M
Chemical Name:
4-Piperidinone, 1-(2-pyridinylmethyl)-
CAS Number:
41661-56-7
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD05864492
IUPAC Name:
1-(pyridin-2-ylmethyl)piperidin-4-one
InChI:
InChI=1S/C11H14N2O/c14-11-4-7-13(8-5-11)9-10-3-1-2-6-12-10/h1-3,6H,4-5,7-9H2
InChI Key:
LQHWXULWFQQUDQ-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)Cc1ccccn1
EC Number:
609-949-0
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Green chemistry approach to the synthesis of N-substituted piperidones. | The Journal of organic chemistry 20030711 |
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