| CAS Number | 1016503-28-8 |
| Catalog Number | AG01A8MC |
| Chemical Name | N-(3-bromophenyl)piperidine-4-carboxamide |
| IUPAC Name | N-(3-bromophenyl)piperidine-4-carboxamide |
| InChI | InChI=1S/C12H15BrN2O/c13-10-2-1-3-11(8-10)15-12(16)9-4-6-14-7-5-9/h1-3,8-9,14H,4-7H2,(H,15,16) |
| InChI Key | PNZFKESQFYGSLC-UHFFFAOYSA-N |
| MDL Number | MFCD09805966 |
| Molecular Formula | C12H15BrN2O |
| Molecular Weight | 283.1643 |
| SMILES | BrC1=CC(NC(C2CCNCC2)=O)=CC=C1 |
| Synonyms | N-(3-bromophenyl)piperidine-4-carboxamide,
1016503-28-8,
AC1Q24KR,
CTK7F9997,
ZINC19408948,
AKOS000166341,
MCULE-7101544283,
NE26672,
SC-62963,
EN300-62011,
Piperidine-4-carboxylic acid (3-bromo-phenyl)-amid,
Z320988068,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.169g/mol |
| Monoisotopic Mass | 282.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number