| CAS Number | 1177600-74-6 |
| Catalog Number | AG008X7F(AGN-PC-0WOZ7D) |
| Chemical Name | N-(4-Bromophenyl)-3,5-dimethyl-1-piperidinepropanamide Hydrochloride |
| IUPAC Name | N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride |
| InChI | InChI=1S/C16H23BrN2O.ClH/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-5-3-14(17)4-6-15;/h3-6,12-13H,7-11H2,1-2H3,(H,18,20);1H |
| InChI Key | XQESCHFXROUCOQ-UHFFFAOYSA-N |
| MDL Number | MFCD06620515 |
| Molecular Formula | C16H24BrClN2O |
| Molecular Weight | 375.7316 |
| SMILES | O=C(NC1=CC=C(Br)C=C1)CCN2CC(C)CC(C)C2.[H]Cl |
| Synonyms | 1177600-74-6,
SMANT hydrochloride,
N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide hydrochloride,
N-(4-Bromophenyl)-3,5-dimethyl-1-piperidinepropanamide hydrochloride,
N-(4-Bromo-phenyl)-3-(3,5-dimethyl-piperidin-1-yl)-propionamide,
AC1MEA5F,
MLS001207552,
CHEMBL1354022,
AKOS024393422,
MCULE-1133741298,
SMANT hydrochloride, >=98% (HPLC),
SMR000518175,
SR-01000481490,
SR-01000481490-1,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 374.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.735g/mol |
| Monoisotopic Mass | 374.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number