| CAS Number | 1082381-12-1 |
| Catalog Number | AG01B1X6 |
| Chemical Name | 1-[4-(butan-2-yloxy)phenyl]piperazine |
| IUPAC Name | 1-(4-butan-2-yloxyphenyl)piperazine |
| InChI | InChI=1S/C14H22N2O/c1-3-12(2)17-14-6-4-13(5-7-14)16-10-8-15-9-11-16/h4-7,12,15H,3,8-11H2,1-2H3 |
| InChI Key | GBVPLZZDVNEWBZ-UHFFFAOYSA-N |
| MDL Number | MFCD11586573 |
| Molecular Formula | C14H22N2O |
| Molecular Weight | 234.3373 |
| SMILES | CCC(OC1=CC=C(N2CCNCC2)C=C1)C |
| Synonyms | AKOS005840628,
1-[4-(butan-2-yloxy)phenyl]piperazine,
1082381-12-1,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.343g/mol |
| Monoisotopic Mass | 234.173g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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