4-(3-Chlorophenyl)-α-(diphenylmethyl)-1-piperazineethanol dihydrochloride

C₂₅H₂₉Cl₃N₂OCAS 193611-72-2479.87 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Tertiary amine

Properties

Molecular formula: C₂₅H₂₉Cl₃N₂O
Molar mass: 479.87 g/mol
Exact mass: 478.1345 Da
logP: 5.50Crippen estimate
Polar surface area: 26.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6

Identifiers

CAS number

193611-72-2

SMILES

Cl.Cl.OC(CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1

InChIKey

WPEXRXMQMPOHIO-UHFFFAOYSA-N

InChI

InChI=1S/C25H27ClN2O.2ClH/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-13,18,24-25,29H,14-17,19H2;2*1H

Weigh it out

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Names and synonyms

3 names

1-Piperazineethanol, 4-(3-chlorophenyl)-α-(diphenylmethyl)-, hydrochloride (1:2)
1-Piperazineethanol, 4-(3-chlorophenyl)-α-(diphenylmethyl)-, dihydrochloride
BRL 15572

Work with 4-(3-Chlorophenyl)-α-(diphenylmethyl)-1-piperazineethanol 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-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (1:1)52605-52-451 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-447 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-747 % similar Piperazine, 1-(3-chlorophenyl)-, hydrochloride (1:?)65369-76-847 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine39577-43-045 % similar 2,2′-[(3-Chlorophenyl)imino]bis[ethanol]92-00-243 % similar (±)-Dropropizine17692-31-842 % similar Levodropropizine99291-25-542 % similar

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

Elsewhere

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