3-(1-Piperidylmethyl)phenylboronic Acid - CAS 1032610-59-5
Catalog: |
BB001066 |
Product Name: |
3-(1-Piperidylmethyl)phenylboronic Acid |
CAS: |
1032610-59-5 |
Synonyms: |
[3-(1-piperidinylmethyl)phenyl]boronic acid; [3-(piperidin-1-ylmethyl)phenyl]boronic acid |
IUPAC Name: | [3-(piperidin-1-ylmethyl)phenyl]boronic acid |
Description: | 3-(1-Piperidylmethyl)phenylboronic Acid (CAS# 1032610-59-5) is a useful research chemical. |
Molecular Weight: | 219.09 |
Molecular Formula: | C12H18NO2B |
Canonical SMILES: | B(C1=CC(=CC=C1)CN2CCCCC2)(O)O |
InChI: | InChI=1S/C12H18BNO2/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9,15-16H,1-3,7-8,10H2 |
InChI Key: | XXOOQRVPTGXIAP-UHFFFAOYSA-N |
LogP: | 0.29020 |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
EP-2245033-B1 | Pyrrolopyrazine kinase inhibitors | 20080225 |
US-2010267666-A1 | Pyrrolopyrazine kinase inhibitors | 20080225 |
US-8008298-B2 | Pyrrolopyrazine kinase inhibitors | 20080225 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.143059 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.143059 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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