1-(2-Methoxyphenyl)piperazine hydrobromide

C11H17BrN2OCAS 100939-96-6273.17 g/mol

Open in Covalent MOL file
ONHNHBr
EtherSecondary amineTertiary amine

Properties

Molecular formula
C11H17BrN2O
Molar mass
273.17 g/mol
Exact mass
272.0524 Da
logP
1.68Crippen estimate
Polar surface area
24.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
100939-96-6
SMILES
COC1=CC=CC=C1N2CCNCC2.Br
InChIKey
QPAHBXFXDDEKNB-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N2O.BrH/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.

Work with 1-(2-Methoxyphenyl)piperazine hydrobromide

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 hydrochloride5464-78-8Salt

Similar compounds

1-(2-Ethoxyphenyl)piperazine13339-01-065 % similar 1-(2-Ethoxyphenyl)piperazine hydrochloride83081-75-860 % similar 1-(2,4-Dimethoxyphenyl)piperazine16015-75-159 % similar 1-(5-Chloro-2-methoxyphenyl)piperazine hydrochloride99857-72-452 % similar 2-(1-Piperazinyl)phenol1011-17-251 % similar 2-Mepp39512-51-151 % similar 1-(2-Ethylphenyl)piperazine40224-10-049 % similar 1-(2-Bromophenyl)piperazine1011-13-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook