1-(2-Methoxyphenyl)-4-(3-chloropropyl)piperazine dihydrochloride

C₁₄H₂₃Cl₃N₂OCAS 21279-77-6341.70 g/mol

Open in Covalent MOL file

Alkyl halide Ether Tertiary amine

Properties

Molecular formula: C₁₄H₂₃Cl₃N₂O
Molar mass: 341.70 g/mol
Exact mass: 340.0876 Da
logP: 3.29Crippen estimate
Polar surface area: 15.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

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

21279-77-6

SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCl.Cl.Cl

InChIKey

KQEUKQRNKBUFTF-UHFFFAOYSA-N

InChI

InChI=1S/C14H21ClN2O.2ClH/c1-18-14-6-3-2-5-13(14)17-11-9-16(10-12-17)8-4-7-15;;/h2-3,5-6H,4,7-12H2,1H3;2*1H

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Work with 1-(2-Methoxyphenyl)-4-(3-chloropropyl)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

Similar compounds

1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-858 % similar Urapidil hydrochloride64887-14-553 % similar 1-(2-Methoxyphenyl)piperazine35386-24-451 % similar Fluanisone1480-19-951 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (1:1)52605-52-449 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride57059-62-849 % similar Naftopidil dihydrochloride57149-08-348 % similar 1-(2-Methoxyphenyl)piperazine hydrobromide100939-96-648 % similar

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

Elsewhere

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