| CAS Number | 1353878-17-7 |
| Catalog Number | AG00IX1W(AGN-PC-0WB0VR) |
| Chemical Name | Ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate |
| IUPAC Name | ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate |
| InChI | InChI=1S/C19H23N3O2/c1-2-24-19(23)17-9-6-10-18(20-17)22-13-11-21(12-14-22)15-16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3 |
| InChI Key | RZRSCEMCRCQYGG-UHFFFAOYSA-N |
| MDL Number | MFCD20921602 |
| Molecular Formula | C19H23N3O2 |
| Molecular Weight | 325.4048 |
| SMILES | O=C(OCC)C3(=NC(N2(CCN(CC1(=CC=CC=C1))CC2))=CC=C3) |
| Synonyms | ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate,
1353878-17-7,
KS-000027QI,
ZX-RL003064,
MFCD20921602,
ZINC71789038,
AKOS015991548,
ethylbenzylpiperazinylpyridinecarboxylate,
MF-0705,
RP16578,
OR303836,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.412g/mol |
| Monoisotopic Mass | 325.179g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 45.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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