3-Bromo-4-oxo-piperidine-1-carboxylic acid tert-butyl ester

C₁₀H₁₆BrNO₃CAS 188869-05-8278.15 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate Ketone

Properties

Molecular formula: C₁₀H₁₆BrNO₃
Molar mass: 278.15 g/mol
Exact mass: 277.0314 Da
logP: 1.96Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

188869-05-8

SMILES

CC(C)(C)OC(=O)N1CCC(=O)C(C1)Br

InChIKey

RGWGRRBHQUREDE-UHFFFAOYSA-N

InChI

InChI=1S/C10H16BrNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3

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Names and synonyms

1 names

1-tert-Butyloxycarbonyl-3-bromo-4-oxopiperidine

Work with 3-Bromo-4-oxo-piperidine-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

tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate181269-69-268 % similar 1,1-Dimethylethyl 3-fluoro-4-oxo-1-piperidinecarboxylate211108-50-866 % similar 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate161491-24-360 % similar 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate98977-34-557 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-056 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-354 % similar tert-Butyl 4-bromopiperidine-1-carboxylate180695-79-854 % similar 1-Boc-4-methylenepiperidine159635-49-153 % similar

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

Elsewhere

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