| CAS Number | 84162-84-5 |
| Catalog Number | AG008GSK(AGN-PC-00KRUS) |
| Chemical Name | 1-[4-(5-Fluoro-2-hydroxybenzoyl)-1-piperidinyl]-ethanone |
| IUPAC Name | 1-[4-(5-fluoro-2-hydroxybenzoyl)piperidin-1-yl]ethanone |
| InChI | InChI=1S/C14H16FNO3/c1-9(17)16-6-4-10(5-7-16)14(19)12-8-11(15)2-3-13(12)18/h2-3,8,10,18H,4-7H2,1H3 |
| InChI Key | BIOJZRDPHAAHAN-UHFFFAOYSA-N |
| MDL Number | MFCD06409282 |
| Molecular Formula | C14H16FNO3 |
| Molecular Weight | 265.2801 |
| SMILES | CC(N1CCC(C(C2=C(O)C=CC(F)=C2)=O)CC1)=O |
| Synonyms | 84162-84-5,
1-[4-(5-Fluoro-2-hydroxybenzoyl)-1-piperidinyl]-ethanone,
(1-acetylpiperidin-4-yl)(5-fluoro-2-hydroxyphenyl)methanone,
1-acetyl-4-(5-fluoro-2-hydroxybenzoyl)piperidine,
MFCD06409282,
1-[4-(5-fluoro-2-hydroxybenzoyl)piperidin-1-yl]ethanone,
Ethanone, 1-[4-(5-fluoro-2-hydroxybenzoyl)-1-piperidinyl]-,
SCHEMBL10637954,
CTK3E6207,
DTXSID10517437,
BIOJZRDPHAAHAN-UHFFFAOYSA-N,
ZINC36293724,
AKOS000813877,
MCULE-7163707550,
FT-0668654,
VU0549331-1,
L-4405,
1-acetyl-4-(5-fluoro-2-hydroxybenzoyl)-piperidine,
F9995-0283,
1-[4-(5-Fluoro-2-hydroxybenzoyl)piperidin-1-yl]ethan-1-one,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.284g/mol |
| Monoisotopic Mass | 265.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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