4-(2-Aminoethyl)-1-boc-piperidine

C₁₂H₂₄N₂O₂CAS 146093-46-1228.34 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₂H₂₄N₂O₂
Molar mass: 228.34 g/mol
Exact mass: 228.1838 Da
logP: 1.98Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed60% of notifiers
H314 Causes severe skin burns and eye damage20% of notifiers
H315 Causes skin irritation60% of notifiers
H318 Causes serious eye damage40% of notifiers
H319 Causes serious eye irritation20% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

146093-46-1

SMILES

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

InChIKey

LBQDLHPFISVBRU-UHFFFAOYSA-N

InChI

InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-9,13H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 4-(2-aminoethyl)piperidine-1-carboxylate

Work with 4-(2-Aminoethyl)-1-boc-piperidine

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

1-Boc-4-(aminomethyl)piperidine144222-22-075 % similar 1,1-Dimethylethyl 3-(2-aminoethyl)-1-azetidinecarboxylate898271-20-075 % similar 1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine89151-44-070 % similar 3-(1-((tert-Butoxy)carbonyl)piperidin-4-yl)propanoic acid154775-43-668 % similar (R)-N-Boc-3-(aminomethyl)pyrrolidine199174-29-367 % similar (S)-1-Boc-3-(aminomethyl)pyrrolidine199175-10-567 % similar N-Boc-4-piperidinemethanol123855-51-666 % similar tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate479057-79-966 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester165528-81-4 Dicyclohexylammonium nitrite3129-91-7 (S)-1-N-Boc-3-isopropylpiperazine475272-54-9 (S)-1-Boc-2-isopropylpiperazine674792-05-3

Elsewhere

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