| CAS Number | 1007869-81-9 |
| Catalog Number | AG01DHA2 |
| Chemical Name | N,N-dimethyl-1-(4-nitrobenzoyl)piperidin-4-amine |
| IUPAC Name | [4-(dimethylamino)piperidin-1-yl]-(4-nitrophenyl)methanone |
| InChI | InChI=1S/C14H19N3O3/c1-15(2)12-7-9-16(10-8-12)14(18)11-3-5-13(6-4-11)17(19)20/h3-6,12H,7-10H2,1-2H3 |
| InChI Key | OVUXKOAUZYEBIW-UHFFFAOYSA-N |
| MDL Number | MFCD31803142 |
| Molecular Formula | C14H19N3O3 |
| Molecular Weight | 277.3190 |
| SMILES | CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O |
| Synonyms | [4-(Dimethylamino)-1-piperidinyl](4-nitrophenyl)-Methanone,
1007869-81-9,
SCHEMBL3440275,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.324g/mol |
| Monoisotopic Mass | 277.143g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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