1-(2-Methoxyphenyl)piperazine hydrochloride

C₁₁H₁₇ClN₂OCAS 5464-78-8228.72 g/mol

Open in Covalent MOL file

Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₇ClN₂O
Molar mass: 228.72 g/mol
Exact mass: 228.1029 Da
Melting point: 236–238 °C
logP: 1.53Crippen estimate
Polar surface area: 24.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed40.3% of notifiers
H315 Causes skin irritation80.6% of notifiers
H319 Causes serious eye irritation80.6% of notifiers
H335 May cause respiratory irritation80.6% of notifiers

Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

5464-78-8

SMILES

COc1ccccc1N1CCNCC1.Cl

InChIKey

DDMVHGULHRJOEC-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O.ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H

Weigh it out

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

Names and synonyms

6 names

Piperazine, 1-(2-methoxyphenyl)-, hydrochloride (1:1)
Piperazine, 1-(2-methoxyphenyl)-, monohydrochloride
1-(2-Methoxyphenyl)piperazine monohydrochloride
4-(2-Methoxyphenyl)piperazine hydrochloride
1-(2-Methoxyphenyl)piperazin-1-ium chloride
N-(2-Methoxyphenyl)piperazine hydrochloride

Work with 1-(2-Methoxyphenyl)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-Methoxyphenyl)piperazine35386-24-4Free base 1-(2-Methoxyphenyl)piperazine hydrobromide100939-96-6Salt

Similar compounds

1-(2-Ethoxyphenyl)piperazine hydrochloride83081-75-873 % similar 1-(2-Ethoxyphenyl)piperazine13339-01-065 % similar 1-(5-Chloro-2-methoxyphenyl)piperazine hydrochloride99857-72-463 % similar N-(2-Methylphenyl)piperazine hydrochloride70849-60-459 % similar 1-(3,4-Dimethoxyphenyl)piperazine hydrochloride16015-72-859 % similar 1-(2,4-Dimethoxyphenyl)piperazine16015-75-159 % similar 1-(2-Methoxyphenyl)-4-(3-chloropropyl)piperazine dihydrochloride21279-77-658 % similar 1-(2-Fluorophenyl)piperazine hydrochloride1011-16-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-7

Elsewhere

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