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

C19H27ClN2CAS 1228780-72-0318.89 g/mol

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ClNNH
AlkeneAryl halideSecondary amineTertiary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-(1,1'-biphenyl)-2-yl)methyl)piperazine dihydrochloride1628047-87-9Salt

Similar compounds

2-(4-Chlorophenyl)-4,4-dimethyl-cyclohexene-1-carbaldehyde1228837-05-550 % 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-Chlorobenzyl)piperazine23145-88-240 % similar 1-(4-Chlorophenyl)piperazine38212-33-836 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-134 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-434 % similar 1-(4,4'-Dichlorobenzhydryl)piperazine27469-61-033 % similar 1-(2,4-Dichlorobenzyl)piperazine51619-56-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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