1-(2-Ethoxyphenyl)piperazine hydrochloride

C₁₂H₁₉ClN₂OCAS 83081-75-8242.75 g/mol

Open in Covalent MOL file

Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₉ClN₂O
Molar mass: 242.75 g/mol
Exact mass: 242.1186 Da
Melting point: 207–209 °C
logP: 1.92Crippen 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

83081-75-8

SMILES

CCOc1ccccc1N1CCNCC1.Cl

InChIKey

OPDWQXGKXOCCDT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Piperazine, 1-(2-ethoxyphenyl)-, hydrochloride (1:1)
Piperazine, 1-(2-ethoxyphenyl)-, monohydrochloride
1-(2-Ethoxyphenyl)piperazine monohydrochloride

Work with 1-(2-Ethoxyphenyl)piperazine hydrochloride

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)piperazine13339-01-0Free base

Similar compounds

1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-873 % similar 1-(2-Methoxyphenyl)piperazine35386-24-465 % similar 1-(2-Methoxyphenyl)piperazine hydrobromide100939-96-660 % similar N-(2-Methylphenyl)piperazine hydrochloride70849-60-456 % similar 1-(2-Fluorophenyl)piperazine hydrochloride1011-16-153 % similar N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-853 % similar 1-(2-Ethylphenyl)piperazine40224-10-050 % similar 1-(2,3-Dimethylphenyl)piperazine hydrochloride80836-96-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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