tert-Butyl 4-iodopiperidine-1-carboxylate

C10H18INO2CAS 301673-14-3311.16 g/mol

Open in Covalent MOL file
OONI
Alkyl halideCarbamate

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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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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-iodopyrrolidine-1-carboxylate774234-25-282 % similar tert-Butyl 3-iodoazetidine-1-carboxylate254454-54-170 % similar tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-266 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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