| CAS Number | 1018517-70-8 |
| Catalog Number | AG01A43G |
| Chemical Name | 3-[2-(4-Methylpiperidin-1-yl)ethyl]aniline |
| IUPAC Name | 3-[2-(4-methylpiperidin-1-yl)ethyl]aniline |
| InChI | InChI=1S/C14H22N2/c1-12-5-8-16(9-6-12)10-7-13-3-2-4-14(15)11-13/h2-4,11-12H,5-10,15H2,1H3 |
| InChI Key | LKJFOFILEZIHDC-UHFFFAOYSA-N |
| MDL Number | MFCD10021265 |
| Molecular Formula | C14H22N2 |
| Molecular Weight | 218.3379 |
| SMILES | NC1=CC=CC(CCN2CCC(C)CC2)=C1 |
| Synonyms | 3-[2-(4-methylpiperidin-1-yl)ethyl]aniline,
1018517-70-8,
ZINC20192000,
AKOS014685767,
MCULE-2471361005,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.344g/mol |
| Monoisotopic Mass | 218.178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number