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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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