| CAS Number | 185460-26-8 |
| Catalog Number | AG01B5JT(AGN-PC-0QEFG2) |
| Chemical Name | Tert-butyl 4-(4-methoxyphenyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(4-methoxyphenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-11-9-17(10-12-18)13-5-7-14(20-4)8-6-13/h5-8H,9-12H2,1-4H3 |
| InChI Key | ZKFRRJHIJQRWNW-UHFFFAOYSA-N |
| MDL Number | MFCD11872660 |
| Molecular Formula | C16H24N2O3 |
| Molecular Weight | 292.3734 |
| SMILES | COC1=CC=C(N2CCN(C(OC(C)(C)C)=O)CC2)C=C1 |
| Synonyms | Tert-butyl 4-(4-methoxyphenyl)piperazine-1-carboxylate,
185460-26-8,
SCHEMBL1458624,
ZKFRRJHIJQRWNW-UHFFFAOYSA-N,
ZINC34573739,
AKOS013100360,
FT-0744802,
t-butyl 4-(4-methoxyphenyl)piperazine-1-carboxylate,
Z1157671117,
4-(4-Methoxyphenyl)piperazine-1-carboxylic acid tert-butyl ester,
CID10935225,
|
| Complexity | 338 |
| 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