| CAS Number | 1204296-32-1 |
| Catalog Number | AG01AQKD |
| Chemical Name | 4-Piperazin-1-yl-6-piperidin-1-ylpyrimidine |
| IUPAC Name | 4-piperazin-1-yl-6-piperidin-1-ylpyrimidine |
| InChI | InChI=1S/C13H21N5/c1-2-6-17(7-3-1)12-10-13(16-11-15-12)18-8-4-14-5-9-18/h10-11,14H,1-9H2 |
| InChI Key | OWEMOAFNBCGPTF-UHFFFAOYSA-N |
| MDL Number | MFCD16629367 |
| Molecular Formula | C13H21N5 |
| Molecular Weight | 247.3393 |
| SMILES | C1CCN(CC1)C2C=C(N=CN=2)N3CCNCC3 |
| Synonyms | 4-piperazin-1-yl-6-piperidin-1-ylpyrimidine,
1204296-32-1,
F1967-0545,
ZINC38478023,
AKOS015956194,
MCULE-3942777186,
BB 0247502,
4-Piperazin-1-yl-6-piperidin-1-yl-pyrimidine,
4-(piperazin-1-yl)-6-(piperidin-1-yl)pyrimidine,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.346g/mol |
| Monoisotopic Mass | 247.18g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number