| CAS Number | 1046079-80-4 |
| Catalog Number | AG00HADI |
| Chemical Name | 2-(1-Benzylpiperidin-4-yl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)10-17-8-6-13(7-9-17)14-16-15-11-18-14/h1-5,11,13H,6-10H2 |
| InChI Key | KKAKXQFKDCFWBM-UHFFFAOYSA-N |
| MDL Number | MFCD11109613 |
| Molecular Formula | C14H17N3O |
| Molecular Weight | 243.3043 |
| SMILES | C(N1CCC(CC1)c1nnco1)c1ccccc1 |
| Synonyms | 2-(1-BENZYLPIPERIDIN-4-YL)-1,3,4-OXADIAZOLE,
1046079-80-4,
CHEMBL512910,
CTK5J6304,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.31g/mol |
| Monoisotopic Mass | 243.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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