| CAS Number | 25519-79-3 |
| Catalog Number | AG00C30O(AGN-PC-0KKATD) |
| Chemical Name | 1-(4-Benzoylpiperidin-1-yl)ethanone |
| IUPAC Name | 1-(4-benzoylpiperidin-1-yl)ethanone |
| InChI | InChI=1S/C14H17NO2/c1-11(16)15-9-7-13(8-10-15)14(17)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3 |
| InChI Key | RQVMJPJBWMFWFT-UHFFFAOYSA-N |
| MDL Number | MFCD00174008 |
| Molecular Formula | C14H17NO2 |
| Molecular Weight | 231.2903 |
| SMILES | CC(=O)N1CCC(CC1)C(=O)c2ccccc2 |
| Synonyms | 1-ACETYL-4-BENZOYLPIPERIDINE,
25519-79-3,
1-(4-benzoylpiperidin-1-yl)ethanone,
1-(4-benzoyl-1-piperidinyl)ethanone,
AC1MCCFO,
SCHEMBL7330630,
CTK4F5968,
DTXSID90372389,
RQVMJPJBWMFWFT-UHFFFAOYSA-N,
ZINC110090,
AKOS022347625,
AB04390,
CA-1703,
FT-0661174,
1-[4-(phenylcarbonyl)piperidin-1-yl]ethanone,
A817891,
ZINC00110090,
CID2740714,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.295g/mol |
| Monoisotopic Mass | 231.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number