(2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester

C₁₂H₂₄N₂O₂CAS 165528-81-4228.34 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₂H₂₄N₂O₂
Molar mass: 228.34 g/mol
Exact mass: 228.1838 Da
logP: 1.90Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

165528-81-4

SMILES

CC(C)(C)OC(=O)NCCC1CCNCC1

InChIKey

RQRMFFGCUUGYPC-UHFFFAOYSA-N

InChI

InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10/h10,13H,4-9H2,1-3H3,(H,14,15)

Weigh it out

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

Work with (2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester

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

4-(Boc-aminomethyl)piperidine135632-53-078 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-873 % similar 3-Boc-aminomethylpyrrolidine149366-79-071 % similar (S)-3-N-Boc-aminomethyl pyrrolidine173340-26-671 % similar 1-(2-N-Boc-aminoethyl)piperazine140447-78-563 % similar tert-Butyl N-(azetidin-3-ylmethyl)carbamate91188-15-762 % similar 3-N-Boc-aminomethylpiperidine142643-29-661 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(2-Aminoethyl)-1-boc-piperidine146093-46-1 Dicyclohexylammonium nitrite3129-91-7 (S)-1-N-Boc-3-isopropylpiperazine475272-54-9 (S)-1-Boc-2-isopropylpiperazine674792-05-3

Elsewhere

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