tert-butyl 4-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate

CAS: 1073355-13-1

Formula: C21H34BN3O4

SMILES: CC1=CC(=NC=C1B1OC(C)(C)C(C)(C)O1)N1CCN(CC1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 4-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate

InChI: InChI=1S/C21H34BN3O4/c1-15-13-17(23-14-16(15)22-28-20(5,6)21(7,8)29-22)24-9-11-25(12-10-24)18(26)27-19(2,3)4/h13-14H,9-12H2,1-8H3

Composition: C (62.54%), H (8.50%), B (2.68%), N (10.42%), O (15.87%)

Molar Mass: 403.33

Atom Count: 63

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	403.264237
Formal Charge	0
FSP3	0.71
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	CQYHKQXSKLVNHE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.09
Topological Polar Surface Area	64.13
Polarizability	43.76
Ring Count	3
Rotatable Bond Count	4

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