| CAS Number | 605621-29-2 |
| Catalog Number | AG00F80Q(AGN-PC-0KQQ7Y) |
| Chemical Name | 2-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}pyrimidine |
| IUPAC Name | [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone |
| InChI | InChI=1S/C22H29N5O/c1-17-4-5-18(2)20(16-17)25-12-14-26(15-13-25)21(28)19-6-10-27(11-7-19)22-23-8-3-9-24-22/h3-5,8-9,16,19H,6-7,10-15H2,1-2H3 |
| InChI Key | JBGJHRQFJZHNSQ-UHFFFAOYSA-N |
| MDL Number | MFCD03860143 |
| Molecular Formula | C22H29N5O |
| Molecular Weight | 379.4986 |
| SMILES | CC1=C(C=C(C=C1)C)N1CCN(CC1)C(=O)C1CCN(CC1)C1=NC=CC=N1 |
| Synonyms | AS-74192,
2-{4-[4-(2,5-DIMETHYLPHENYL)PIPERAZINE-1-CARBONYL]PIPERIDIN-1-YL}PYRIMIDINE,
605621-29-2,
AC1MLNHH,
CID3223143,
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrimidin-2-yl-4-piperidyl)methanone,
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone,
|
| Complexity | 507 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.237211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.5g/mol |
| Monoisotopic Mass | 379.237211g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number