1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
Product Information
Molecular Formula
C17H26BNO2
Molecular Weight
287.20
Description
1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine is a useful organic molecule widely used in biomedicine. It acts as a synthetic intermediate in the production of pharmaceuticals and shows efficacy as a key component in medicines used to treat neurological disorders and pain management.
Synonyms
3-Piperidinophenylboronic acid pinacol ester; 3-(Piperidin-1-yl)benzeneboronic acid, pinacol ester; 1-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine; 1-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-piperidine; 1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
IUPAC Name
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N3CCCCC3
InChI
InChI=1S/C17H26BNO2/c1-16(2)17(3,4)21-18(20-16)14-9-8-10-15(13-14)19-11-6-5-7-12-19/h8-10,13H,5-7,11-12H2,1-4H3
InChI Key
IIUXWPXCCXVCPD-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
287.2056592 g/mol
Monoisotopic Mass
287.2056592 g/mol
Topological Polar Surface Area
21.7Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
350
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 |
|---|---|---|
| US-10227331-B2 | Metallo-β-lactamase inhibitors | 2015-06-26 |
| US-2018179190-A1 | Metallo-beta-lactamase inhibitors | 2015-06-26 |
| WO-2011124580-A1 | Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 2010-04-07 |
| CA-2698511-A1 | Substituted pyrimidinyl-amines as protein kinase inhibitors | 2007-09-04 |
| CA-2698511-C | Substituted pyrimidinyl-amines as protein kinase inhibitors | 2007-09-04 |
| EP-2200436-A1 | Substituted pyrimidinyl-amines as protein kinase inhibitors | 2007-09-04 |
| EP-2200436-B1 | Substituted pyrimidinyl-amines as protein kinase inhibitors | 2007-09-04 |
| JP-2010538076-A | Substituted pyrimidinyl-amines as protein kinase inhibitors | 2007-09-04 |
| JP-2015007102-A | Substituted pyrimidinyl-amines as protein kinase inhibitors | 2007-09-04 |
| JP-5611826-B2 | Substituted pyrimidinyl-amines as protein kinase inhibitors | 2007-09-04 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 5333 | 1976-04-01 | A Canadian hospital security survey | Dimensions in health service |
