4-(4-acetylpiperazin-1-yl)phenylboronic acid

4-(4-acetylpiperazin-1-yl)phenylboronic acid

CAS: 1384954-82-8

Formula: C12H17BN2O3

SMILES: CC(=O)N1CCN(CC1)C1=CC=C(C=C1)B(O)O

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

InChI: InChI=1S/C12H17BN2O3/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(3-5-12)13(17)18/h2-5,17-18H,6-9H2,1H3

Composition: C (58.10%), H (6.91%), B (4.36%), N (11.29%), O (19.35%)

Molar Mass: 248.09

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.133222
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	NEPZCNSUXGOPPC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.35
Topological Polar Surface Area	64.01
Polarizability	26.21
Ring Count	2
Rotatable Bond Count	2

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