1-Methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
Product Information
Molecular Formula
C18H29BN2O2
Molecular Weight
316.25
Description
1-Methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine is a complex molecular structure employed in the biomedical sphere, fundamentally operates for the enhancement of various medicinal derivatives. This substance's typical function comprises the synthetic assembly of distinct antipsychotic pharmaceuticals, inclusive but not restricted to Paliperidone, directed towards ameliorating the harsh symptoms linked with schizophrenia and related schizoaffective abnormalities.
Synonyms
4-(4-METHYLPIPERAZINO)METHYLPHENYLBORONIC ACID, PINACOL ESTER; 4-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester; 1-methyl-4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine; 1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine; 1-methyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine; (4-((4-METHYLPIPERAZIN-1-YL)METHYL)PHENYL)BORONIC ACID PINACOL ESTER; 1-Methyl-4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine; 1-Methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine; 4-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid pinacol ester
IUPAC Name
1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCN(CC3)C
InChI
InChI=1S/C18H29BN2O2/c1-17(2)18(3,4)23-19(22-17)16-8-6-15(7-9-16)14-21-12-10-20(5)11-13-21/h6-9H,10-14H2,1-5H3
InChI Key
CYEYLYGHCOHIDC-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
316.2322083 g/mol
Monoisotopic Mass
316.2322083 g/mol
Topological Polar Surface Area
24.9Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
384
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2020229840-A1 | Substituted naphthalene diimides and their use | 2019-05-16 |
| KR-20200132317-A | Novel 3-(substituted amino)-6-alkyl-pyrazine-2-carboxamide derivatives and use thereof | 2019-05-16 |
| CN-114026089-A | Substituted naphthalene diimides and their use | 2019-05-16 |
| US-2020206216-A1 | Inhibitors of fibroblast activation protein | 2018-12-21 |
| CN-113811529-A | Fibroblast activation protein inhibitor | 2018-12-21 |
| US-2020199131-A1 | Imidazopyridazine and imidazopyridine compounds and uses thereof | 2018-12-20 |
| TW-202039502-A | Imidazopyridazine and imidazopyridine compounds and uses thereof | 2018-12-20 |
| IL-284139-D0 | Imidazopyridazine and imidazopyridine compounds and their use | 2018-12-20 |
| KR-20210116488-A | Imidazopyridazine and imidazopyridine compounds as inhibitors of activin receptor-like kinase-2 | 2018-12-20 |
| BR-112021011948-A2 | IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF | 2018-12-20 |
