1-(2-Ethoxyphenyl)piperazine

C₁₂H₁₈N₂OCAS 13339-01-0206.29 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
Boiling point: 112–114 °C (at 0.08 Torr)
logP: 1.49Crippen estimate
Polar surface area: 24.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

13339-01-0

SMILES

CCOc1ccccc1N1CCNCC1

InChIKey

FBQIUSDQWOLCNY-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O/c1-2-15-12-6-4-3-5-11(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.

Names and synonyms

6 names

Piperazine, 1-(2-ethoxyphenyl)-
Piperazine, 1-(o-ethoxyphenyl)-
1-(o-Ethoxyphenyl)piperazine
4-(2-Ethoxyphenyl)piperazine
4-(2-Ethoxyphenyl)-1-piperazine
N-(2-Ethoxyphenyl)piperazine

Work with 1-(2-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-(2-Ethoxyphenyl)piperazine hydrochloride83081-75-8Salt

Similar compounds

1-(2-Methoxyphenyl)piperazine35386-24-471 % similar 1-(2-Methoxyphenyl)piperazine hydrobromide100939-96-665 % similar 1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-865 % similar 1-(2-Ethylphenyl)piperazine40224-10-054 % similar 2-Mepp39512-51-153 % similar 1,2-Diethoxybenzene2050-46-652 % similar 1-(2-Bromophenyl)piperazine1011-13-850 % similar 1-(2,4-Dimethoxyphenyl)piperazine16015-75-149 % 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-Phenoxyethyl)piperazine13484-37-2 1-((4-Methoxyphenyl)methyl)piperazine21867-69-6 Isoproturon34123-59-6 1-(4-Ethoxyphenyl)piperazine46415-29-6 N-[3-(Diethylamino)phenyl]acetamide6375-46-8 4-N-Benzyl-2-hydroxymethylpiperazine85817-34-1

Elsewhere

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