1-(5-Chloro-2-methoxyphenyl)piperazine hydrochloride

C₁₁H₁₆Cl₂N₂OCAS 99857-72-4263.16 g/mol

Open in Covalent MOL file

Aryl halide Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₆Cl₂N₂O
Molar mass: 263.16 g/mol
Exact mass: 262.0640 Da
logP: 2.18Crippen estimate
Polar surface area: 24.5 Å²
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

99857-72-4

SMILES

COC1=C(C=C(C=C1)Cl)N2CCNCC2.Cl

InChIKey

NTLFAHFTZBIIPG-UHFFFAOYSA-N

InChI

InChI=1S/C11H15ClN2O.ClH/c1-15-11-3-2-9(12)8-10(11)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H

Weigh it out

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Work with 1-(5-Chloro-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

Similar compounds

1-(3,4-Dimethoxyphenyl)piperazine hydrochloride16015-72-863 % similar 1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-863 % similar 1-(5-Chloro-2-methylphenyl)piperazine76835-20-657 % similar 1-(2-Methoxyphenyl)piperazine35386-24-456 % similar 1-(3-Methoxyphenyl)piperazine dihydrochloride6968-76-953 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-153 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-453 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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