tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate

C₁₄H₂₂N₄O₂CAS 571188-59-5278.36 g/mol

Open in Covalent MOL file

Carbamate Tertiary amine

Properties

Molecular formula: C₁₄H₂₂N₄O₂
Molar mass: 278.36 g/mol
Exact mass: 278.1743 Da
Melting point: 130–132 °C
logP: 1.55Crippen estimate
Polar surface area: 72.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed11.1% of notifiers
H302 Harmful if swallowed55.6% of notifiers
H315 Causes skin irritation44.4% of notifiers
H317 May cause an allergic skin reaction22.2% of notifiers
H318 Causes serious eye damage22.2% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

571188-59-5

SMILES

CC(C)(C)OC(=O)N1CCN(c2ccc(=N)[nH]c2)CC1

InChIKey

RMULRXHUNOVPEI-UHFFFAOYSA-N

InChI

InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-12(15)16-10-11/h4-5,10H,6-9H2,1-3H3,(H2,15,16)

Weigh it out

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

Names and synonyms

4 names

1-Piperazinecarboxylic acid, 4-(6-amino-3-pyridinyl)-, 1,1-dimethylethyl ester
4-(6-Aminopyridin-3-yl)piperazine-1-carboxylic acid tert-butyl ester
tert-Butyl 4-(6-amino-3-pyridyl)piperazine-1-carboxylate
1-Boc-4-(6-aminopyridin-3-yl)piperazine

Work with tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-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

4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester170911-92-960 % similar tert-Butyl 4-(4-bromophenyl)piperazine-1-carboxylate352437-09-360 % similar 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid162046-66-457 % similar 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester470478-90-155 % similar 1,1-Dimethylethyl 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylate571189-16-750 % similar Ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxylate183288-43-948 % similar 1-Boc-4-(2-carboxyphenyl)piperazine444582-90-546 % similar tert-Butyl 4-benzylpiperazine-1-carboxylate57260-70-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cuprizone370-81-0

Elsewhere

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