1-((4′-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2-yl)methyl)piperazine dihydrochloride

C₁₉H₂₉Cl₃N₂CAS 1628047-87-9391.81 g/mol

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Alkene Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₉H₂₉Cl₃N₂
Molar mass: 391.81 g/mol
Exact mass: 390.1396 Da
logP: 5.05Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

1628047-87-9

SMILES

CC1(C)CCC(CN2CCNCC2)=C(c2ccc(Cl)cc2)C1.Cl.Cl

InChIKey

KISZDCHFJKYNFW-UHFFFAOYSA-N

InChI

InChI=1S/C19H27ClN2.2ClH/c1-19(2)8-7-16(14-22-11-9-21-10-12-22)18(13-19)15-3-5-17(20)6-4-15;;/h3-6,21H,7-14H2,1-2H3;2*1H

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Names and synonyms

2 names

Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (1:2)
1-((2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine dihydrochloride

Work with 1-((4′-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2-yl)methyl)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-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazine1228780-72-093 % similar 2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde1228837-05-547 % similar 4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-B]pyridin-5-yloxy)benzoic acid1235865-77-642 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-140 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-440 % similar 4-(4-Chlorophenyl)-1,2,5,6-tetrahydropyridine hydrochloride51304-61-136 % similar 1-(4-Chlorophenyl)piperazine38212-33-834 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-433 % similar

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

Elsewhere

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