3-(4-Methyl-1-piperazinyl)phenylboronic Acid Pinacol Ester - CAS 747413-18-9
Catalog: |
BB035153 |
Product Name: |
3-(4-Methyl-1-piperazinyl)phenylboronic Acid Pinacol Ester |
CAS: |
747413-18-9 |
Synonyms: |
1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine; 1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine |
IUPAC Name: | 1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine |
Description: | 3-(4-Methyl-1-piperazinyl)phenylboronic Acid Pinacol Ester (CAS# 747413-18-9 ) is a useful research chemical. |
Molecular Weight: | 302.22 |
Molecular Formula: | C17H27N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N3CCN(CC3)C |
InChI: | InChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)14-7-6-8-15(13-14)20-11-9-19(5)10-12-20/h6-8,13H,9-12H2,1-5H3 |
InChI Key: | DCWPPXDQCNZIEI-UHFFFAOYSA-N |
MDL: | MFCD10698509 |
LogP: | 1.74050 |
Publication Number | Title | Priority Date |
WO-2015091531-A1 | Imidazolopyrimidin-2-yl derivatives as jak inhibitors | 20131219 |
US-2014045814-A1 | Pyrazine derivatives as fgfr inhibitors | 20120810 |
US-2016280713-A1 | Pyrazine derivatives as fgfr inhibitors | 20120810 |
US-9388185-B2 | Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors | 20120810 |
US-9745311-B2 | Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors | 20120810 |
Complexity: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.2165583 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.2165583 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 24.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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