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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-257 % similar 4-Chloro-piperidine-1-carboxylic acid tert-butyl ester154874-94-957 % similar tert-Butyl 4-bromopiperidine-1-carboxylate180695-79-857 % similar tert-Butyl 4-iodopiperidine-1-carboxylate301673-14-357 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-757 % similar 1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde137076-22-356 % similar N-Boc-4-piperidinemethanol123855-51-655 % similar 1-Boc-4-(aminomethyl)piperidine144222-22-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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