1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine

1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine

CAS: 747413-21-4

Formula: C17H27BN2O2

SMILES: CN1CCN(CC1)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine

InChI: InChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)14-6-8-15(9-7-14)20-12-10-19(5)11-13-20/h6-9H,10-13H2,1-5H3

Composition: C (67.56%), H (9.01%), B (3.58%), N (9.27%), O (10.59%)

Molar Mass: 302.23

Atom Count: 49

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	302.216558
Formal Charge	0
FSP3	0.65
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	RDFJBDMCBVSCFI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.19
Topological Polar Surface Area	24.94
Polarizability	35.15
Ring Count	3
Rotatable Bond Count	2

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