4-(1-Methyl-4-piperidyl)phenylboronic Acid Pinacol Ester - CAS 1247000-92-5
Catalog: |
BB005974 |
Product Name: |
4-(1-Methyl-4-piperidyl)phenylboronic Acid Pinacol Ester |
CAS: |
1247000-92-5 |
Synonyms: |
1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine; 1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine |
IUPAC Name: | 1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine |
Description: | 4-(1-Methyl-4-piperidyl)phenylboronic Acid Pinacol Ester (CAS# 1247000-92-5 ) is a useful research chemical. |
Molecular Weight: | 301.23 |
Molecular Formula: | C18H28NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CCN(CC3)C |
InChI: | InChI=1S/C18H28BNO2/c1-17(2)18(3,4)22-19(21-17)16-8-6-14(7-9-16)15-10-12-20(5)13-11-15/h6-9,15H,10-13H2,1-5H3 |
InChI Key: | UMZNHRTZPNOQHN-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.73290 |
Publication Number | Title | Priority Date |
WO-2021096948-A1 | Allosteric egfr inhibitors and methods of use thereof | 20191111 |
WO-2020257607-A1 | Allosteric egfr inhibitors and methods of use thereof | 20190621 |
WO-2020257632-A1 | Allosteric egfr inhibitors and methods of use thereof | 20190621 |
WO-2020039060-A1 | 4-substituted pyrrolo[2,3-b]pyridine as erbb modulators useful for treating cancer | 20180823 |
AU-2019324528-A1 | 4-substituted pyrrolo(2,3-b)pyridine as ErbB modulators useful for treating cancer | 20180823 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.2213093 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.2213093 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 21.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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