tert-Butyl 3-ethynylpiperidine-1-carboxylate

C₁₂H₁₉NO₂CAS 664362-16-7209.29 g/mol

Open in Covalent MOL file

Alkyne Carbamate

Properties

Molecular formula: C₁₂H₁₉NO₂
Molar mass: 209.29 g/mol
Exact mass: 209.1416 Da
logP: 2.27Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

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

664362-16-7

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C#C

InChIKey

IJHRDEPFBAXIMW-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3

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Names and synonyms

1 names

1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester

Work with tert-Butyl 3-ethynylpiperidine-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

3-Ethynyl-1-azetidinecarboxylic acid tert-butyl ester287193-01-574 % similar N-Boc-3-cyanopiperidine91419-53-371 % similar (S)-1-N-Boc-3-cyanopiperidine915226-39-071 % similar (R)-1-Boc-3-hydroxypiperidine143900-43-060 % similar (S)-1-Boc-3-hydroxypiperidine143900-44-160 % similar 1-Boc-3-aminopiperidine144243-24-360 % similar N-Boc-3-aminopiperidine184637-48-760 % similar (R)-1-Boc-3-aminopiperidine188111-79-760 % similar

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

Same formula

Mirogabalin1138245-13-2 1-Boc-4-ethynylpiperidine287192-97-6 3,4-Diethoxybenzeneethanamine61381-04-2 Octyl cyanoacrylate6701-17-3

Elsewhere

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