4-(4-Acetyl-1-piperazinyl)-2-(methyloxy)aniline

C₁₃H₁₉N₃O₂CAS 1021426-42-5249.31 g/mol

Open in Covalent MOL file

Amide Ether Primary amine Tertiary amine

Properties

Molecular formula: C₁₃H₁₉N₃O₂
Molar mass: 249.31 g/mol
Exact mass: 249.1477 Da
logP: 0.95Crippen estimate
Polar surface area: 58.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H341 Suspected of causing genetic defects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

1021426-42-5

SMILES

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)N)OC

InChIKey

OJCNMAFGNSFBOO-UHFFFAOYSA-N

InChI

InChI=1S/C13H19N3O2/c1-10(17)15-5-7-16(8-6-15)11-3-4-12(14)13(9-11)18-2/h3-4,9H,5-8,14H2,1-2H3

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

Names and synonyms

1 names

1-(4-(4-Amino-3-methoxyphenyl)piperazin-1-yl)ethanone

Work with 4-(4-Acetyl-1-piperazinyl)-2-(methyloxy)aniline

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

2-Methoxy-4-morpholinoaniline209960-91-860 % similar 1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one92394-00-858 % similar 1-(4-Amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine1089279-91-354 % similar 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone67914-60-751 % similar 1-Acetyl-4-(3-hydroxyphenyl)piperazine67915-02-050 % similar 1-(3,4-Dimethoxyphenyl)piperazine hydrochloride16015-72-844 % similar 4-Amino-3-methoxybenzoic acid2486-69-342 % similar Methyl 4-amino-3-methoxybenzoate41608-64-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2S,5R)-5-((Benzyloxy)amino)piperidine-2-carboxamide1416134-49-0

Elsewhere

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