| CAS Number | 1121596-71-1 |
| Catalog Number | AG00HCCU(AGN-PC-0JK0LF) |
| Chemical Name | Tert-butyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C17H26N2O4/c1-17(2,3)23-16(20)19-8-6-18(7-9-19)13-10-14(21-4)12-15(11-13)22-5/h10-12H,6-9H2,1-5H3 |
| InChI Key | OFZZMVRDEBZUAV-UHFFFAOYSA-N |
| MDL Number | MFCD11872593 |
| Molecular Formula | C17H26N2O4 |
| Molecular Weight | 322.3993 |
| SMILES | COc1cc(OC)cc(c1)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1121596-71-1,
4-BOC-1-(3,5-DIMETHOXYPHENYL)-PIPERAZINE,
tert-butyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate,
DTXSID70857129,
ACT07352,
MFCD11872593,
ZINC91690642,
AKOS027253572,
4-(3,5-Dimethoxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.405g/mol |
| Monoisotopic Mass | 322.189g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number