1-Boc-4-(aminomethyl)piperidine

C₁₁H₂₂N₂O₂CAS 144222-22-0214.31 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₁H₂₂N₂O₂
Molar mass: 214.31 g/mol
Exact mass: 214.1681 Da
logP: 1.59Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation96% of notifiers
H335 May cause respiratory irritation96% of notifiers
H400 Very toxic to aquatic life84% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

144222-22-0

SMILES

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

InChIKey

KLKBCNDBOVRQIJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8,12H2,1-3H3

Weigh it out

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

Work with 1-Boc-4-(aminomethyl)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

(R)-N-Boc-3-(aminomethyl)pyrrolidine199174-29-383 % similar (S)-1-Boc-3-(aminomethyl)pyrrolidine199175-10-583 % similar 4-(2-Aminoethyl)-1-boc-piperidine146093-46-175 % similar 1-Boc-3-(aminomethyl)azetidine325775-44-871 % similar 1-Boc-3-(aminomethyl)piperidine162167-97-769 % similar N-Boc-4-piperidinemethanol123855-51-668 % similar tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate479057-79-968 % similar 1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine89151-44-068 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-N-Boc-4-N-methyl-aminopiperidine108612-54-0 4-(Boc-aminomethyl)piperidine135632-53-0 1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-6 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate139004-96-9 tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-4 (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-5 tert-Butyl N-((piperidin-2-yl)methyl)carbamate141774-61-0 3-N-Boc-aminomethylpiperidine142643-29-6

Elsewhere

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