[4-(1-Piperidin-1-ylethyl)phenyl]boronic acid
Product Information
Molecular Formula
C13H20BNO2
Molecular Weight
233.11
Description
[4-(1-Piperidin-1-ylethyl)phenyl]boronic acid is a boronic acid derivative frequently used in biomedicine for Suzuki coupling reactions. It’s widely instrumental in drug discovery, often applied in the synthesis of pharmaceuticals treating neurological disorders.
Synonyms
{4-[1-(1-piperidinyl)ethyl]phenyl}boronic acid; (4-(1-(Piperidin-1-yl)ethyl)phenyl)boronic acid; 4-[1-(piperidin-1-yl)ethyl]phenylboronic acid; (4-(1-(Piperidin-1-yl)ethyl)phenyl)boronicacid; B-[4-[1-(1-Piperidinyl)ethyl]phenyl]boronic acid; [4-(1-Piperidin-1-ylethyl)phenyl]boronic acid
IUPAC Name
[4-(1-piperidin-1-ylethyl)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)C(C)N2CCCCC2)(O)O
InChI
InChI=1S/C13H20BNO2/c1-11(15-9-3-2-4-10-15)12-5-7-13(8-6-12)14(16)17/h5-8,11,16-17H,2-4,9-10H2,1H3
InChI Key
AAVZQQFWPJUBCQ-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H318
Precautionary Statement
P280 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
233.1587090 g/mol
Monoisotopic Mass
233.1587090 g/mol
Topological Polar Surface Area
43.7Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
224
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
