| CAS Number | 163341-33-1 |
| Catalog Number | AG01A2DZ |
| Chemical Name | 1-[(3-Methoxyphenyl)methyl]piperidin-4-one |
| IUPAC Name | 1-[(3-methoxyphenyl)methyl]piperidin-4-one |
| InChI | InChI=1S/C13H17NO2/c1-16-13-4-2-3-11(9-13)10-14-7-5-12(15)6-8-14/h2-4,9H,5-8,10H2,1H3 |
| InChI Key | JKWQJPKVFRHUDD-UHFFFAOYSA-N |
| MDL Number | MFCD09942155 |
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.2796 |
| SMILES | COC1=CC(CN2CCC(=O)CC2)=CC=C1 |
| Synonyms | 1-[(3-methoxyphenyl)methyl]piperidin-4-one,
163341-33-1,
SCHEMBL667100,
JKWQJPKVFRHUDD-UHFFFAOYSA-N,
1-(3-Methoxybenzyl)-4-piperidone,
1-(3-methoxybenzyl)piperidin-4-one,
ZINC87555562,
AKOS000188095,
CID11959540,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.284g/mol |
| Monoisotopic Mass | 219.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number