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

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

CAS: 936250-21-4

Formula: C20H32BN3O4

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=NC=CC(=C1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C20H32BN3O4/c1-18(2,3)26-17(25)24-12-10-23(11-13-24)16-14-15(8-9-22-16)21-27-19(4,5)20(6,7)28-21/h8-9,14H,10-13H2,1-7H3

Composition: C (61.71%), H (8.29%), B (2.78%), N (10.79%), O (16.44%)

Molar Mass: 389.3

Atom Count: 60

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	389.248587
Formal Charge	0
FSP3	0.7
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	NQBNJXYYAKBREJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.05
Topological Polar Surface Area	64.13
Polarizability	42
Ring Count	3
Rotatable Bond Count	4

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