| CAS Number | 926272-72-2 |
| Catalog Number | AG019UDY |
| Chemical Name | N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide |
| IUPAC Name | N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide |
| InChI | InChI=1S/C14H19FN2O/c1-10-2-3-11(8-13(10)15)9-17-14(18)12-4-6-16-7-5-12/h2-3,8,12,16H,4-7,9H2,1H3,(H,17,18) |
| InChI Key | QACGDJLKCJEEEO-UHFFFAOYSA-N |
| MDL Number | MFCD08443493 |
| Molecular Formula | C14H19FN2O |
| Molecular Weight | 250.3119 |
| SMILES | CC1=C(F)C=C(CNC(C2CCNCC2)=O)C=C1 |
| Synonyms | N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide,
N-(3-fluoro-4-methylbenzyl)piperidine-4-carboxamide,
926272-72-2,
AC1Q2FFK,
CTK7G0056,
ZINC21953160,
AKOS000126251,
MCULE-3945644401,
NE24135,
EN300-41360,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.317g/mol |
| Monoisotopic Mass | 250.148g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number