tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate

C₁₃H₂₀IN₃O₂CAS 877399-73-0377.23 g/mol

Open in Covalent MOL file

Aryl halide Carbamate

Properties

Molecular formula: C₁₃H₂₀IN₃O₂
Molar mass: 377.23 g/mol
Exact mass: 377.0600 Da
logP: 3.06Crippen estimate
Polar surface area: 47.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

877399-73-0

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(C=N2)I

InChIKey

IONGFFYQZADMPH-UHFFFAOYSA-N

InChI

InChI=1S/C13H20IN3O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7H2,1-3H3

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Names and synonyms

1 names

1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester

Work with tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-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

4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester877399-50-373 % similar tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate877399-74-165 % similar tert-Butyl 4-iodopiperidine-1-carboxylate301673-14-350 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-750 % similar tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-247 % similar 4-Chloro-piperidine-1-carboxylic acid tert-butyl ester154874-94-947 % similar tert-Butyl 4-bromopiperidine-1-carboxylate180695-79-847 % similar 1-Boc-hexahydro-1H-azepin-4-amine196613-57-746 % similar

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

Elsewhere

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