tert-Butyl 3-ethynylpiperidine-1-carboxylate

C12H19NO2CAS 664362-16-7209.29 g/mol

Open in Covalent MOL file
OON
AlkyneCarbamate

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
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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