1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-piperidinecarboxylate

C₁₆H₃₀BNO₄CAS 1048970-17-7311.23 g/mol

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Boronic ester Carbamate

Properties

Molecular formula: C₁₆H₃₀BNO₄
Molar mass: 311.23 g/mol
Exact mass: 311.2268 Da
logP: 3.48Crippen estimate
Polar surface area: 48.0 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

1048970-17-7

SMILES

CC(C)(C)OC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1

InChIKey

IBLQMWKHENBVJE-UHFFFAOYSA-N

InChI

InChI=1S/C16H30BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3

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Names and synonyms

2 names

1-Piperidinecarboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate

Work with 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-piperidinecarboxylate

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-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-257 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-757 % similar N-Boc-4-piperidinemethanol123855-51-655 % similar 1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-955 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-954 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-853 % similar 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-152 % similar tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate877399-74-152 % similar

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

Elsewhere

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