1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine

C14H21F3N2 — CID 123987426

IUPAC1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
SMILESCCN1CCN(CC2=CCCC=C2C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2/c1-2-18-7-9-19(10-8-18)11-12-5-3-4-6-13(12)14(15,16)17/h5-6H,2-4,7-11H2,1H3
InChIKeyHRWIGRLIPNCVSK-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.83
Rot. Bonds3

About 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine

1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine (PubChem CID 123987426) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
PubChem CID123987426
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
SMILESCCN1CCN(CC2=CCCC=C2C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2/c1-2-18-7-9-19(10-8-18)11-12-5-3-4-6-13(12)14(15,16)17/h5-6H,2-4,7-11H2,1H3
InChIKeyHRWIGRLIPNCVSK-UHFFFAOYSA-N
XLogP2.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-[2-Ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
CID 123401847
1-(2-Fluoroethyl)-4-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperazine
CID 123443565
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-Methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine
CID 123679716
1-Ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine
CID 123724920
1-Ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine
CID 123728932
1-[2-Ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine
CID 123762068
1-[[3,7-Dimethyl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]piperazine
CID 123832271
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Ethyl-4-[2-methylidene-3-(trifluoromethyl)but-3-enyl]piperazine
CID 123907507
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine (CID 123987426) is 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine is CCN1CCN(CC2=CCCC=C2C(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine?
The InChIKey is HRWIGRLIPNCVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-2-18-7-9-19(10-8-18)11-12-5-3-4-6-13(12)14(15,16)17/h5-6H,2-4,7-11H2,1H3.
What are the key properties of 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine?
1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine has a molecular weight of 274.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine is sourced from PubChem (CID 123987426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).