4-methyl-3-[3-(4-methylpiperazin-1-yl)propoxy]phenylboronic acid

4-methyl-3-[3-(4-methylpiperazin-1-yl)propoxy]phenylboronic acid

CAS: 1704064-31-2

Formula: C15H25BN2O3

SMILES: CN1CCN(CCCOC2=C(C)C=CC(=C2)B(O)O)CC1

IUPAC: {4-methyl-3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}boronic acid

InChI: InChI=1S/C15H25BN2O3/c1-13-4-5-14(16(19)20)12-15(13)21-11-3-6-18-9-7-17(2)8-10-18/h4-5,12,19-20H,3,6-11H2,1-2H3

Composition: C (61.66%), H (8.62%), B (3.70%), N (9.59%), O (16.43%)

Molar Mass: 292.19

Atom Count: 46

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	292.195823
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HOLVQFCYTSHUEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.04
Topological Polar Surface Area	56.17
Polarizability	33.03
Ring Count	2
Rotatable Bond Count	6

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