| CAS Number | 1251537-48-0 |
| Catalog Number | AG009FZD(AGN-PC-080FBL) |
| Chemical Name | (1-Benzylpiperidin-4-yl)boronic acid |
| IUPAC Name | (1-benzylpiperidin-4-yl)boronic acid |
| InChI | InChI=1S/C12H18BNO2/c15-13(16)12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,15-16H,6-10H2 |
| InChI Key | KVLXTDQEZFWZSW-UHFFFAOYSA-N |
| MDL Number | MFCD07371553 |
| Molecular Formula | C12H18BNO2 |
| Molecular Weight | 219.0878 |
| SMILES | OB(C1CCN(CC1)Cc1ccccc1)O |
| Synonyms | (1-Benzylpiperidin-4-yl)boronic acid,
1251537-48-0,
1-BENZYL-PIPERIDINE-4-BORONIC ACID,
SCHEMBL1709006,
DTXSID20677399,
BCP15593,
4188AH,
AKOS016013004,
ZINC169991499,
NE64627,
C12H18BNO2,
(1-Benzylpiperidin-4-yl)boronicacid,
ACN-037806,
(1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl)boronic acid,
844501-00-4,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.091g/mol |
| Monoisotopic Mass | 219.143g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number