1-(4-Ethoxyphenyl)piperazine

C₁₂H₁₈N₂OCAS 46415-29-6206.29 g/mol

Open in Covalent MOL file

Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂O
Molar mass: 206.29 g/mol
Exact mass: 206.1419 Da
logP: 1.49Crippen estimate
Polar surface area: 24.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

46415-29-6

SMILES

CCOC1=CC=C(C=C1)N2CCNCC2

InChIKey

DPEWTQJUUDLJNX-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O/c1-2-15-12-5-3-11(4-6-12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3

Weigh it out

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

Work with 1-(4-Ethoxyphenyl)piperazine

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-(4-Methoxyphenyl)piperazine38212-30-564 % similar N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-558 % similar 1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-758 % similar 1-(4-Methylphenyl)piperazine39593-08-355 % similar 1,4-Diethoxybenzene122-95-254 % similar 1-(4-Chlorophenyl)piperazine38212-33-852 % similar 1-(4-Fluorophenyl)piperazine2252-63-350 % similar 1-(4-Hydroxyphenyl)piperazine56621-48-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(4-Benzyl-1,4-oxazinan-2-yl)methylamine110859-47-7 (2-(4-Methylpiperazin-1-yl)phenyl)methanol123987-12-2 1-(2-Ethoxyphenyl)piperazine13339-01-0 1-(2-Phenoxyethyl)piperazine13484-37-2 1-((4-Methoxyphenyl)methyl)piperazine21867-69-6 Isoproturon34123-59-6 N-[3-(Diethylamino)phenyl]acetamide6375-46-8 4-N-Benzyl-2-hydroxymethylpiperazine85817-34-1

Elsewhere

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