| CAS Number | 945895-48-7 |
| Catalog Number | AG00J29H(AGN-PC-0WB5RB) |
| Chemical Name | 1-(2-Chloropyrimidin-4-Yl)Piperidin-3-Ol |
| IUPAC Name | 1-(2-chloropyrimidin-4-yl)piperidin-3-ol |
| InChI | InChI=1S/C9H12ClN3O/c10-9-11-4-3-8(12-9)13-5-1-2-7(14)6-13/h3-4,7,14H,1-2,5-6H2 |
| InChI Key | OZTKPDVMLVHPOB-UHFFFAOYSA-N |
| MDL Number | MFCD09756898 |
| Molecular Formula | C9H12ClN3O |
| Molecular Weight | 213.6641 |
| SMILES | N1C(Cl)=NC=CC=1N1CCCC(O)C1 |
| Synonyms | 1-(2-CHLOROPYRIMIDIN-4-YL)PIPERIDIN-3-OL,
945895-48-7,
SCHEMBL20445954,
DTXSID30624596,
MFCD09756898,
AKOS011627478,
Y-5489,
1-(2-Chloropyrimidin-4-yl)piperidin-3-ol, AldrichCPR,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.665g/mol |
| Monoisotopic Mass | 213.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number