| CAS Number | 923145-19-1 |
| Catalog Number | AG00GUCF |
| Chemical Name | 1-(4-Methoxypyrimidin-2-yl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C11H15N3O3/c1-17-9-2-5-12-11(13-9)14-6-3-8(4-7-14)10(15)16/h2,5,8H,3-4,6-7H2,1H3,(H,15,16) |
| InChI Key | COAOFDCPJULLEG-UHFFFAOYSA-N |
| MDL Number | MFCD08444822 |
| Molecular Formula | C11H15N3O3 |
| Molecular Weight | 237.2551 |
| SMILES | O=C(C1CCN(C2=NC=CC(OC)=N2)CC1)O |
| Synonyms | 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid,
923145-19-1,
AC1Q4F7T,
SCHEMBL15415291,
CTK7B1813,
ZINC20282514,
AKOS008090406,
MCULE-2698144699,
NE29358,
EN300-31828,
J-503355,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.259g/mol |
| Monoisotopic Mass | 237.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number