1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine

C12H17F3N2 — CID 142129067

IUPAC1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
SMILESCN1CCN(C2=CC=CC(C(F)(F)F)C2)CC1
InChIInChI=1S/C12H17F3N2/c1-16-5-7-17(8-6-16)11-4-2-3-10(9-11)12(13,14)15/h2-4,10H,5-9H2,1H3
InChIKeyVWWAFYRNWCWONC-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.26
Rot. Bonds1

About 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine

1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine (PubChem CID 142129067) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
PubChem CID142129067
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
SMILESCN1CCN(C2=CC=CC(C(F)(F)F)C2)CC1
InChIInChI=1S/C12H17F3N2/c1-16-5-7-17(8-6-16)11-4-2-3-10(9-11)12(13,14)15/h2-4,10H,5-9H2,1H3
InChIKeyVWWAFYRNWCWONC-UHFFFAOYSA-N
XLogP2.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.26
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
(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 90268007
1-(2-Fluoroethyl)-4-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperazine
CID 123443565
1-Methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 123544546
N,N,N'-trimethyl-N'-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
CID 123566839
1-(3-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 123598247
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
1-Methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine
CID 141330354
4-[(4-Methylpiperazin-1-yl)methylidene]-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141350612
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809
1-Methyl-4-[4-methyl-6-(trifluoromethyl)cyclohepta-1,4-dien-1-yl]piperazine
CID 144657290
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine
CID 144662376

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine (CID 142129067) is 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine is CN1CCN(C2=CC=CC(C(F)(F)F)C2)CC1.
What is the InChIKey of 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine?
The InChIKey is VWWAFYRNWCWONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-16-5-7-17(8-6-16)11-4-2-3-10(9-11)12(13,14)15/h2-4,10H,5-9H2,1H3.
What are the key properties of 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine?
1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine has a molecular weight of 246.28 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine is sourced from PubChem (CID 142129067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).