6-(4-benzylpiperazin-1-yl)pyridin-3-ylboronic acid

6-(4-benzylpiperazin-1-yl)pyridin-3-ylboronic acid

Formula: C16H20BN3O2

SMILES: OB(O)C1=CN=C(C=C1)N1CCN(CC2=CC=CC=C2)CC1

IUPAC: [6-(4-benzylpiperazin-1-yl)pyridin-3-yl]boronic acid

InChI: InChI=1S/C16H20BN3O2/c21-17(22)15-6-7-16(18-12-15)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12,21-22H,8-11,13H2

Composition: C (64.67%), H (6.78%), B (3.64%), N (14.14%), O (10.77%)

Molar Mass: 297.17

Atom Count: 42

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	297.164857
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	AGMCWMOMRSHAKH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.85
Topological Polar Surface Area	59.83
Polarizability	33.38
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C16H20BN3O2		Quote Only