1-(3-Methoxyphenyl)piperazine dihydrochloride

C₁₁H₁₈Cl₂N₂OCAS 6968-76-9265.18 g/mol

Open in Covalent MOL file

Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₈Cl₂N₂O
Molar mass: 265.18 g/mol
Exact mass: 264.0796 Da
logP: 1.95Crippen estimate
Polar surface area: 24.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from 5 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

6968-76-9

SMILES

COc1cccc(N2CCNCC2)c1.Cl.Cl

InChIKey

UKUNKQNESKRETR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Piperazine, 1-(3-methoxyphenyl)-, hydrochloride (1:2)
Piperazine, 1-(3-methoxyphenyl)-, dihydrochloride
4-(3-Methoxyphenyl)piperazine dihydrochloride

Work with 1-(3-Methoxyphenyl)piperazine dihydrochloride

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-(3-Methoxyphenyl)piperazine16015-71-7Free base

Similar compounds

1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-768 % similar 1-(3,4-Dimethoxyphenyl)piperazine hydrochloride16015-72-864 % similar 1-(3,5-Dimethoxyphenyl)piperazine53557-93-064 % similar 1-(3-Methylphenyl)piperazine dihydrochloride13078-13-262 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-461 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-761 % similar 1-(3-Chlorophenyl)piperazine monohydrochloride65369-76-861 % similar 1-(4-Methoxyphenyl)piperazine38212-30-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-5

Elsewhere

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