Determine the necessary mass, volume, or concentration for preparing a solution.
≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2N3CCN(CC3)C(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | tert-butyl 4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate |
| InChIKey | NMBIQPOMVHWFBF-UHFFFAOYSA-N |
| INCHI | 1S/C21H33BN2O4/c1-19(2,3)26-18(25)24-14-12-23(13-15-24)17-11-9-8-10-16(17)22-27-20(4,5)21(6,7)28-22/h8-11H,12-15H2,1-7H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2N3CCN(CC3)C(=O)OC(C)(C)C |
| Molecular Weight | 388.3 |
| Reaxy-Rn | 28016475 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28016475&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Piperazine carboxylic acids Aniline and substituted anilines Dialkylarylamines Boronic acid esters Carbamate esters Dioxaborolanes Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organic metalloid salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organoboron compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Carbamic acid ester - Boronic acid derivative - Carbonic acid derivative - Tertiary amine - Oxacycle - Azacycle - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organoboron compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic salt - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 388.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 388.253 Da |
| Monoisotopic Mass | 388.253 Da |
| Topological Polar Surface Area | 51.200 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 551.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |