| CAS Number | 189763-86-8 |
| Catalog Number | AG00I2SO(AGN-PC-037NPM) |
| Chemical Name | 1-Piperazinecarboxylic acid, 4-(4-acetylphenyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-(4-acetylphenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C17H24N2O3/c1-13(20)14-5-7-15(8-6-14)18-9-11-19(12-10-18)16(21)22-17(2,3)4/h5-8H,9-12H2,1-4H3 |
| InChI Key | RNENNIIGKWIJDK-UHFFFAOYSA-N |
| MDL Number | MFCD20039715 |
| Molecular Formula | C17H24N2O3 |
| Molecular Weight | 304.3841 |
| SMILES | C(C)(=O)C1=CC=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 4-(4-acetylphenyl)piperazine-1-carboxylate,
189763-86-8,
1-Piperazinecarboxylic acid, 4-(4-acetylphenyl)-, 1,1-dimethylethyl ester,
SCHEMBL1481563,
RNENNIIGKWIJDK-UHFFFAOYSA-N,
ALBB-022169,
ZX-AN037756,
MFCD20039715,
STL436155,
ZINC48016477,
AKOS009146865,
MCULE-9144318064,
T5004,
tert-Butyl 4-(4-acetylphenyl)-piperazine-1-carboxylate,
4-(4-acetyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.39g/mol |
| Monoisotopic Mass | 304.179g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number