1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine

C13H17F3N2 — CID 141330354

IUPAC1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine
SMILESCN1CCN(C=C2C=CC=CC2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2/c1-17-6-8-18(9-7-17)10-11-4-2-3-5-12(11)13(14,15)16/h2-5,10,12H,6-9H2,1H3
InChIKeyRKGHHFKSZJPZHZ-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.42
Rot. Bonds1

About 1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine

1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine (PubChem CID 141330354) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine
PubChem CID141330354
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine
SMILESCN1CCN(C=C2C=CC=CC2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2/c1-17-6-8-18(9-7-17)10-11-4-2-3-5-12(11)13(14,15)16/h2-5,10,12H,6-9H2,1H3
InChIKeyRKGHHFKSZJPZHZ-UHFFFAOYSA-N
XLogP2.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Fluoroethyl)-4-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperazine
CID 123443565
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426
4-[(4-Methylpiperazin-1-yl)methylidene]-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141350612
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142129067
Ethane;1-(2-fluoroethyl)-4-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperazine
CID 145662802
1-methyl-4-[[(1R,4S)-4-methyl-2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]methyl]piperazine
CID 163507806
1-Methyl-4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperazine
CID 170025811
1-methyl-4-[[5-(trifluoromethyl)-2H-pyridin-1-yl]methyl]piperazine
CID 173683831
1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine
CID 10107412
1-Methyl-4-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 154548736
1-Butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine
CID 160869175

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine (CID 141330354) is 1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine is CN1CCN(C=C2C=CC=CC2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine?
The InChIKey is RKGHHFKSZJPZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-17-6-8-18(9-7-17)10-11-4-2-3-5-12(11)13(14,15)16/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine?
1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine is sourced from PubChem (CID 141330354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).