1-((2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazine

C₁₉H₂₇ClN₂CAS 1228780-72-0318.89 g/mol

Open in Covalent MOL file

Alkene Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₉H₂₇ClN₂
Molar mass: 318.89 g/mol
Exact mass: 318.1863 Da
logP: 4.21Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

1228780-72-0

SMILES

CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCNCC3)C

InChIKey

YCNNHDUZLQPKJY-UHFFFAOYSA-N

InChI

InChI=1S/C19H27ClN2/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

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Names and synonyms

1 names

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

Work with 1-((2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazine

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-((4′-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2-yl)methyl)piperazine dihydrochloride1628047-87-993 % similar 2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde1228837-05-550 % 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 acid1235865-77-644 % similar 1-(4-Chlorophenyl)piperazine38212-33-836 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-134 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-434 % similar Moclobemide71320-77-933 % similar Abt 1991257044-40-831 % similar

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

Elsewhere

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