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

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

CAS: 1643923-77-6

Formula: C20H31BN2O2

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

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

InChI: InChI=1S/C20H31BN2O2/c1-18(2)19(3,4)25-21(24-18)17-8-6-16(7-9-17)20(10-11-20)23-14-12-22(5)13-15-23/h6-9H,10-15H2,1-5H3

Composition: C (70.18%), H (9.13%), B (3.16%), N (8.18%), O (9.35%)

Molar Mass: 342.29

Atom Count: 56

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	342.247858
Formal Charge	0
FSP3	0.7
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZDQBKDLXCYXXMA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.41
Topological Polar Surface Area	24.94
Polarizability	40.34
Ring Count	4
Rotatable Bond Count	3

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