tert-Butyl 4-iodopiperidine-1-carboxylate

C₁₀H₁₈INO₂CAS 301673-14-3311.16 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate

Properties

Molecular formula: C₁₀H₁₈INO₂
Molar mass: 311.16 g/mol
Exact mass: 311.0382 Da
logP: 2.82Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

301673-14-3

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)I

InChIKey

YFWQFKUQVJNPKP-UHFFFAOYSA-N

InChI

InChI=1S/C10H18INO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

N-Boc-4-iodopiperidine

Work with tert-Butyl 4-iodopiperidine-1-carboxylate

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-iodoazetidine-1-carboxylate254454-54-170 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-266 % similar 4-Chloro-piperidine-1-carboxylic acid tert-butyl ester154874-94-966 % similar tert-Butyl 4-bromopiperidine-1-carboxylate180695-79-866 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-766 % similar 1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde137076-22-364 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-963 % similar N-Boc-4-piperidinemethanol123855-51-662 % similar

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

Elsewhere

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