| CAS Number | 954274-68-1 |
| Catalog Number | AG019VJE |
| Chemical Name | 5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylaniline |
| IUPAC Name | (3-amino-4-methylphenyl)-(3,5-dimethylpiperidin-1-yl)methanone |
| InChI | InChI=1S/C15H22N2O/c1-10-6-11(2)9-17(8-10)15(18)13-5-4-12(3)14(16)7-13/h4-5,7,10-11H,6,8-9,16H2,1-3H3 |
| InChI Key | VHAPCOSHZCMPRJ-UHFFFAOYSA-N |
| MDL Number | MFCD09737230 |
| Molecular Formula | C15H22N2O |
| Molecular Weight | 246.3480 |
| SMILES | CC1CN(C(C2=CC(N)=C(C)C=C2)=O)CC(C)C1 |
| Synonyms | 5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylaniline,
954274-68-1,
5-[(3,5-dimethylpiperidin-1-yl)carbonyl]-2-methylaniline,
AC1Q2QLE,
CTK6B4937,
AKOS000142215,
MCULE-8155694961,
NE26594,
EN300-45429,
{5-[(3,5-dimethylpiperidin-1-yl)carbonyl]-2-methylphenyl}amine,
|
| Complexity | 295 |
| 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 | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number