3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 3-(4-methylpiperazin-1-yl)phenylboronate

3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 3-(4-methylpiperazin-1-yl)phenylboronate

CAS: 747413-18-9

Formula: C17H29BN2O3

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

IUPAC: 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen [3-(4-methylpiperazin-1-yl)phenyl]boronate

InChI: InChI=1S/C17H29BN2O3/c1-16(2,21)17(3,4)23-18(22)14-7-6-8-15(13-14)20-11-9-19(5)10-12-20/h6-8,13,21-22H,9-12H2,1-5H3

Composition: C (63.76%), H (9.13%), B (3.38%), N (8.75%), O (14.99%)

Molar Mass: 320.24

Atom Count: 52

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	320.227123
Formal Charge	0
FSP3	0.65
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	OUHNMEYPZNHMGC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.97
Topological Polar Surface Area	56.17
Polarizability	36.42
Ring Count	2
Rotatable Bond Count	5

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