| CAS Number | 1016764-58-1 |
| Catalog Number | AG01A8I0 |
| Chemical Name | 1-(4-Aminopiperidin-1-yl)-2-phenylbutan-1-one |
| IUPAC Name | 1-(4-aminopiperidin-1-yl)-2-phenylbutan-1-one |
| InChI | InChI=1S/C15H22N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-10-8-13(16)9-11-17/h3-7,13-14H,2,8-11,16H2,1H3 |
| InChI Key | BIJWTMSEBYWEAD-UHFFFAOYSA-N |
| MDL Number | MFCD09806635 |
| Molecular Formula | C15H22N2O |
| Molecular Weight | 246.3480 |
| SMILES | CCC(C1=CC=CC=C1)C(N1CCC(N)CC1)=O |
| Synonyms | 1-(4-aminopiperidin-1-yl)-2-phenylbutan-1-one,
1016764-58-1,
AC1Q2RUV,
CTK6C7071,
AKOS000161383,
AKOS022489023,
MCULE-9992751513,
NE23617,
EN300-61651,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.354g/mol |
| Monoisotopic Mass | 246.173g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number