1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine

C12H17F3N2 — CID 70148604

IUPAC1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
SMILESCC1(N2CCNCC2)C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C12H17F3N2/c1-11(17-8-6-16-7-9-17)4-2-10(3-5-11)12(13,14)15/h2-4,16H,5-9H2,1H3
InChIKeyARBSZSWBJCGOAC-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.10
Rot. Bonds1

About 1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine

1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine (PubChem CID 70148604) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine.

Molecular Properties

Compound Name1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
PubChem CID70148604
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
SMILESCC1(N2CCNCC2)C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C12H17F3N2/c1-11(17-8-6-16-7-9-17)4-2-10(3-5-11)12(13,14)15/h2-4,16H,5-9H2,1H3
InChIKeyARBSZSWBJCGOAC-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethyl-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine
CID 166883315
4-methyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxylic acid
CID 70627695
1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine
CID 129031822
1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2452153
2,5-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 134426503
7a-methyl-2-piperazin-1-yl-6-(trifluoromethyl)-7H-1,3-benzothiazole
CID 154555591
ethane;4-fluoro-4-methylpiperidine
CID 142139578
1-[1-[2-(4-fluorophenyl)propan-2-yl]-4-methylcyclohexa-2,4-dien-1-yl]sulfonylpiperazine
CID 156697223
1-[3,5-bis(trifluoromethyl)phenyl]-2-methylpiperazine
CID 72985887
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine
CID 116987011
1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine
CID 65484601

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine?
The IUPAC name of 1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine (CID 70148604) is 1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine.
What is the SMILES notation for 1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine?
The canonical SMILES for 1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine is CC1(N2CCNCC2)C=CC(C(F)(F)F)=CC1.
What is the InChIKey of 1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine?
The InChIKey is ARBSZSWBJCGOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-11(17-8-6-16-7-9-17)4-2-10(3-5-11)12(13,14)15/h2-4,16H,5-9H2,1H3.
What are the key properties of 1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine?
1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine has a molecular weight of 246.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine is sourced from PubChem (CID 70148604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).