4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester

C₂₀H₃₂BN₃O₄CAS 496786-98-2389.30 g/mol

Open in Covalent MOL file

Boronic ester Carbamate Tertiary amine

Properties

Molecular formula: C₂₀H₃₂BN₃O₄
Molar mass: 389.30 g/mol
Exact mass: 389.2486 Da
logP: 2.44Crippen estimate
Polar surface area: 64.1 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

496786-98-2

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChIKey

JWUBVPJWWYYRLJ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

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

Work with 4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester470478-90-172 % similar 4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl)morpholine485799-04-060 % similar tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate877399-74-155 % similar tert-Butyl N-(5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamate910462-31-652 % similar 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate850568-72-848 % similar 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid162046-66-447 % similar 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester170911-92-947 % similar tert-Butyl 4-(4-bromophenyl)piperazine-1-carboxylate352437-09-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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