| CAS Number | 905986-94-9 |
| Catalog Number | AG00IG82(AGN-PC-0WBZL0) |
| Chemical Name | 1-(4-Methoxybenzyl)piperidin-4-one |
| IUPAC Name | 1-[(4-methoxyphenyl)methyl]piperidin-4-one |
| InChI | InChI=1S/C13H17NO2/c1-16-13-4-2-11(3-5-13)10-14-8-6-12(15)7-9-14/h2-5H,6-10H2,1H3 |
| InChI Key | ALUMNZBTDKQKNP-UHFFFAOYSA-N |
| MDL Number | MFCD09938405 |
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.2796 |
| SMILES | C(c1ccc(cc1)OC)N1CCC(=O)CC1 |
| Synonyms | 1-(4-Methoxybenzyl)piperidin-4-one,
905986-94-9,
1-[(4-methoxyphenyl)methyl]piperidin-4-one,
N-(4-methoxybenzyl)-4-piperidone,
EOS204,
SCHEMBL1586605,
CTK7A3871,
ALUMNZBTDKQKNP-UHFFFAOYSA-N,
1-(4-Methoxybenzyl)-4-piperidone,
1-(4-Methoxybenzyl)-4-piperidinone,
MFCD09938405,
SBB095805,
ZINC19477881,
AKOS000180871,
FS-5282,
OR318062,
TR-055162,
1-[(4-Methoxyphenyl)methyl]-4-piperidinone,
1-(4-Methoxybenzyl)piperidin-4-one (min 90%),
CID11959580,
|
| Complexity | 224 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number