Home Boronic acids 4-((4-Methylpiperidin-1-yl)Methyl)phenylboronic acid

4-((4-Methylpiperidin-1-yl)Methyl)phenylboronic acid

CAS No.:
1334399-66-4
Catalog Number:
AG009YIB
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
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Product Description
Catalog Number:
AG009YIB
Chemical Name:
4-((4-Methylpiperidin-1-yl)Methyl)phenylboronic acid
CAS Number:
1334399-66-4
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
MDL Number:
MFCD16198059
IUPAC Name:
[4-[(4-methylpiperidin-1-yl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C13H20BNO2/c1-11-6-8-15(9-7-11)10-12-2-4-13(5-3-12)14(16)17/h2-5,11,16-17H,6-10H2,1H3
InChI Key:
WLVRITPVLQKRGX-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CN1CCC(CC1)C)O
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.159g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.118g/mol
Monoisotopic Mass:
233.159g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties