1-Boc-4-ethynylpiperidine

C₁₂H₁₉NO₂CAS 287192-97-6209.29 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

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

287192-97-6

SMILES

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

InChIKey

INUWDZDWSJJFSQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 4-ethynylpiperidine-1-carboxylate

Work with 1-Boc-4-ethynylpiperidine

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 ester287193-01-572 % similar tert-Butyl 4-cyanopiperidine-1-carboxylate91419-52-268 % similar tert-Butyl 4-bromopiperidine-1-carboxylate180695-79-865 % similar (R)-1-Boc-3-cyanopyrrolidine132945-76-761 % similar (S)-1-Boc-3-cyanopyrrolidine132945-78-961 % similar 1-Boc-3-cyanopyrrolidine476493-40-061 % similar tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-261 % similar 4-Chloro-piperidine-1-carboxylic acid tert-butyl ester154874-94-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Mirogabalin1138245-13-2 3,4-Diethoxybenzeneethanamine61381-04-2 tert-Butyl 3-ethynylpiperidine-1-carboxylate664362-16-7 Octyl cyanoacrylate6701-17-3

Elsewhere

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