1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine

C20H27F3N2O — CID 141314202

IUPAC1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine
SMILESCC1(C)CCC(CN2CCNCC2)=C(c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C20H27F3N2O/c1-19(2)8-7-16(14-25-11-9-24-10-12-25)18(13-19)15-3-5-17(6-4-15)26-20(21,22)23/h3-6,24H,7-14H2,1-2H3
InChIKeyCLGFKUBILMZXGO-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.45
Rot. Bonds4

About 1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine

1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine (PubChem CID 141314202) has the molecular formula C20H27F3N2O and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine
PubChem CID141314202
Molecular FormulaC20H27F3N2O
Molecular Weight368.44 g/mol
Exact Mass368.21
IUPAC Name1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine
SMILESCC1(C)CCC(CN2CCNCC2)=C(c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C20H27F3N2O/c1-19(2)8-7-16(14-25-11-9-24-10-12-25)18(13-19)15-3-5-17(6-4-15)26-20(21,22)23/h3-6,24H,7-14H2,1-2H3
InChIKeyCLGFKUBILMZXGO-UHFFFAOYSA-N
XLogP4.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride
CID 130277568
1-[[2-(4-fluorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3-(trifluoromethyl)piperazine
CID 176882078
1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine
CID 141351583
1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine
CID 90732660
5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole
CID 176882079
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906729
1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine
CID 141351579
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 23133624
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-[2-piperazin-1-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11176215
3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 174568705

Frequently Asked Questions

What is the IUPAC name of 1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine?
The IUPAC name of 1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine (CID 141314202) is 1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine.
What is the SMILES notation for 1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine?
The canonical SMILES for 1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine is CC1(C)CCC(CN2CCNCC2)=C(c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine?
The InChIKey is CLGFKUBILMZXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O/c1-19(2)8-7-16(14-25-11-9-24-10-12-25)18(13-19)15-3-5-17(6-4-15)26-20(21,22)23/h3-6,24H,7-14H2,1-2H3.
What are the key properties of 1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine?
1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine has a molecular weight of 368.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine is sourced from PubChem (CID 141314202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).