4-(piperazin-1-yl)phenylboronic acid

4-(piperazin-1-yl)phenylboronic acid

CAS: 513246-99-6

Formula: C10H15BN2O2

SMILES: OB(O)C1=CC=C(C=C1)N1CCNCC1

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

InChI: InChI=1S/C10H15BN2O2/c14-11(15)9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12,14-15H,5-8H2

Composition: C (58.29%), H (7.34%), B (5.25%), N (13.60%), O (15.53%)

Molar Mass: 206.05

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	206.122658
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	WEKCEGUGFNLQIA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.79
Topological Polar Surface Area	55.73
Polarizability	22.83
Ring Count	2
Rotatable Bond Count	2

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