1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine

C13H19F3N2 — CID 123544546

IUPAC1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
SMILESCN1CCN(C2=CCC(C)(C(F)(F)F)C=C2)CC1
InChIInChI=1S/C13H19F3N2/c1-12(13(14,15)16)5-3-11(4-6-12)18-9-7-17(2)8-10-18/h3-5H,6-10H2,1-2H3
InChIKeyOKSNVCRAJUMIOP-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.65
Rot. Bonds1

About 1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine

1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine (PubChem CID 123544546) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
PubChem CID123544546
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
SMILESCN1CCN(C2=CCC(C)(C(F)(F)F)C=C2)CC1
InChIInChI=1S/C13H19F3N2/c1-12(13(14,15)16)5-3-11(4-6-12)18-9-7-17(2)8-10-18/h3-5H,6-10H2,1-2H3
InChIKeyOKSNVCRAJUMIOP-UHFFFAOYSA-N
XLogP2.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
4-[(4-Methylpiperazin-1-yl)methylidene]-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141350612
1-methyl-4-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperazine
CID 142128670
1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]piperazine
CID 142128708
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142129067
1-[5-Fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine
CID 150227599
4-(4,4-Difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine
CID 150487981
1-Cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine
CID 175756648
1-Cyclohexa-1,5-dien-1-yl-4-(2-fluoroethyl)piperazine
CID 175756672
2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine
CID 145320345
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 162598837

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine (CID 123544546) is 1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine is CN1CCN(C2=CCC(C)(C(F)(F)F)C=C2)CC1.
What is the InChIKey of 1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine?
The InChIKey is OKSNVCRAJUMIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-12(13(14,15)16)5-3-11(4-6-12)18-9-7-17(2)8-10-18/h3-5H,6-10H2,1-2H3.
What are the key properties of 1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine?
1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine has a molecular weight of 260.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine is sourced from PubChem (CID 123544546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).