| CAS Number | 1171984-73-8 |
| Catalog Number | AG019NI8 |
| Chemical Name | 4-[4-(2-Methylpropyl)benzoyl]piperidine hydrochloride |
| IUPAC Name | [4-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone;hydrochloride |
| InChI | InChI=1S/C16H23NO.ClH/c1-12(2)11-13-3-5-14(6-4-13)16(18)15-7-9-17-10-8-15;/h3-6,12,15,17H,7-11H2,1-2H3;1H |
| InChI Key | LFJZGZRYVSYLAQ-UHFFFAOYSA-N |
| MDL Number | MFCD11505612 |
| Molecular Formula | C16H24ClNO |
| Molecular Weight | 281.8209 |
| SMILES | Cl.CC(CC1=CC=C(C(C2CCNCC2)=O)C=C1)C |
| Synonyms | 4-[4-(2-methylpropyl)benzoyl]piperidine hydrochloride,
1171984-73-8,
(4-isobutylphenyl)(piperidin-4-yl)methanone hydrochloride,
CTK6A7007,
AC1Q3921,
AKOS016902894,
MCULE-4941300358,
NE18281,
EN300-40494,
Z415636838,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.824g/mol |
| Monoisotopic Mass | 281.155g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number