| CAS Number | 77278-44-5 |
| Catalog Number | AG00ICT8(AGN-PC-0UBAQ6) |
| Chemical Name | 1-Piperazinecarboxylic acid, 4-[(4-hydroxyphenyl)methyl]-,1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-[(4-hydroxyphenyl)methyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)12-13-4-6-14(19)7-5-13/h4-7,19H,8-12H2,1-3H3 |
| InChI Key | MHCKQOSVLILWQH-UHFFFAOYSA-N |
| MDL Number | MFCD14635734 |
| Molecular Formula | C16H24N2O3 |
| Molecular Weight | 292.3734 |
| SMILES | O=C(N1CCN(CC1)Cc1ccc(cc1)O)OC(C)(C)C |
| Synonyms | tert-butyl 4-(4-hydroxybenzyl)piperazine-1-carboxylate,
77278-44-5,
SCHEMBL4156092,
MHCKQOSVLILWQH-UHFFFAOYSA-N,
MFCD14635734,
ZINC59710616,
AKOS023248834,
N-boc-4-hydroxybenzylpiperazine,
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| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.379g/mol |
| Monoisotopic Mass | 292.179g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number