3-(1-Piperazinyl)phenylboronic Acid - CAS 1026029-59-3
Catalog: |
BB000904 |
Product Name: |
3-(1-Piperazinyl)phenylboronic Acid |
CAS: |
1026029-59-3 |
Synonyms: |
[3-(1-piperazinyl)phenyl]boronic acid; (3-piperazin-1-ylphenyl)boronic acid |
IUPAC Name: | (3-piperazin-1-ylphenyl)boronic acid |
Description: | 3-(1-Piperazinyl)phenylboronic Acid (CAS# 1026029-59-3 ) is a useful research chemical. |
Molecular Weight: | 206.05 |
Molecular Formula: | C10H15N2O2B |
Canonical SMILES: | B(C1=CC(=CC=C1)N2CCNCC2)(O)O |
InChI: | InChI=1S/C10H15BN2O2/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12,14-15H,4-7H2 |
InChI Key: | HWNJOZMADDNWFD-UHFFFAOYSA-N |
LogP: | -0.83020 |
Publication Number | Title | Priority Date |
AU-2016317806-A1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
CA-2995675-A1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
EP-3344613-A1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
KR-20180044995-A | Heteroaryl compounds and uses thereof as therapeutic agents | 20150831 |
US-10125118-B2 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.1226579 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.1226579 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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