| CAS Number | 1038724-53-6 |
| Catalog Number | AG019WUE |
| Chemical Name | {3-Fluoro-4-[4-(pyrimidin-2-yl)piperazin-1-yl]phenyl}methanol |
| IUPAC Name | [3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol |
| InChI | InChI=1S/C15H17FN4O/c16-13-10-12(11-21)2-3-14(13)19-6-8-20(9-7-19)15-17-4-1-5-18-15/h1-5,10,21H,6-9,11H2 |
| InChI Key | CQQDGQPDMFMKNQ-UHFFFAOYSA-N |
| MDL Number | MFCD12913218 |
| Molecular Formula | C15H17FN4O |
| Molecular Weight | 288.3201 |
| SMILES | OCC1=CC(F)=C(N2CCN(C3=NC=CC=N3)CC2)C=C1 |
| Synonyms | {3-fluoro-4-[4-(pyrimidin-2-yl)piperazin-1-yl]phenyl}methanol,
1038724-53-6,
AC1Q7BZD,
CHEMBL3467504,
CTK8A2783,
ZINC20434969,
AKOS008118574,
MCULE-7236601291,
NE15661,
EN300-53182,
Z803145388,
(3-fluoro-4-[4-(pyrimidin-2-yl)piperazin-1-yl]phenyl)methanol,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.326g/mol |
| Monoisotopic Mass | 288.139g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number