| CAS Number | 507263-18-5 |
| Catalog Number | AG00I93M(AGN-PC-0S8V5S) |
| Chemical Name | TERT-BUTYL 4-(3-METHOXYPHENYL)PIPERAZINE-1-CARBOXYLATE |
| IUPAC Name | tert-butyl 4-(3-methoxyphenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-8-17(9-11-18)13-6-5-7-14(12-13)20-4/h5-7,12H,8-11H2,1-4H3 |
| InChI Key | CGUCLPMBNBPEBP-UHFFFAOYSA-N |
| MDL Number | MFCD11872509 |
| Molecular Formula | C16H24N2O3 |
| Molecular Weight | 292.3734 |
| SMILES | COc1cccc(c1)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 4-(3-methoxyphenyl)piperazine-1-carboxylate,
507263-18-5,
SCHEMBL2385957,
CGUCLPMBNBPEBP-UHFFFAOYSA-N,
MFCD11872509,
ZINC82608790,
AKOS013099384,
tert-butyl 4-(3-methoxylphenyl)piperazine-1-carboxylate,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.379g/mol |
| Monoisotopic Mass | 292.179g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number