| CAS Number | 1094366-31-0 |
| Catalog Number | AG01A8FR |
| Chemical Name | 1-(4-aminopiperidin-1-yl)-2-(2-methoxyphenyl)ethan-1-one |
| IUPAC Name | 1-(4-aminopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone |
| InChI | InChI=1S/C14H20N2O2/c1-18-13-5-3-2-4-11(13)10-14(17)16-8-6-12(15)7-9-16/h2-5,12H,6-10,15H2,1H3 |
| InChI Key | VQAIESJSFVIKQI-UHFFFAOYSA-N |
| MDL Number | MFCD11164429 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | COC1=C(CC(N2CCC(N)CC2)=O)C=CC=C1 |
| Synonyms | 1-(4-aminopiperidin-1-yl)-2-(2-methoxyphenyl)ethan-1-one,
1094366-31-0,
AC1Q45CL,
ZINC36723606,
AKOS009292420,
NE30619,
EN300-61506,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.326g/mol |
| Monoisotopic Mass | 248.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number