3-(4-methylpiperazin-1-yl)phenylboronic acid

3-(4-methylpiperazin-1-yl)phenylboronic acid

CAS: 1139717-76-2

Formula: C11H17BN2O2

SMILES: CN1CCN(CC1)C1=CC=CC(=C1)B(O)O

IUPAC: [3-(4-methylpiperazin-1-yl)phenyl]boronic acid

InChI: InChI=1S/C11H17BN2O2/c1-13-5-7-14(8-6-13)11-4-2-3-10(9-11)12(15)16/h2-4,9,15-16H,5-8H2,1H3

Composition: C (60.03%), H (7.79%), B (4.91%), N (12.73%), O (14.54%)

Molar Mass: 220.08

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.138308
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HXGDRMHRVSAMGD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.08
Topological Polar Surface Area	46.94
Polarizability	24.68
Ring Count	2
Rotatable Bond Count	2

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