| CAS Number | 1217272-14-4 |
| Catalog Number | AG01A1ZX(AGN-PC-0WO27A) |
| Chemical Name | 1-(pyrimidin-4-yl)piperidin-4-ol |
| IUPAC Name | 1-pyrimidin-4-ylpiperidin-4-ol |
| InChI | InChI=1S/C9H13N3O/c13-8-2-5-12(6-3-8)9-1-4-10-7-11-9/h1,4,7-8,13H,2-3,5-6H2 |
| InChI Key | MPGNGESAFITLSU-UHFFFAOYSA-N |
| MDL Number | MFCD14605725 |
| Molecular Formula | C9H13N3O |
| Molecular Weight | 179.2190 |
| SMILES | OC1CCN(C2=NC=NC=C2)CC1 |
| Synonyms | 1-(pyrimidin-4-yl)piperidin-4-ol,
1217272-14-4,
SCHEMBL17208274,
ZINC40863608,
AKOS010504685,
MCULE-6154519241,
NE47301,
Z1495385187,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.223g/mol |
| Monoisotopic Mass | 179.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number