1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine

C15H23F3N2 — CID 142853246

IUPAC1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine
SMILESCC1=CC(C(F)(F)F)=CC(C)(CN2CCN(C)CC2)C1
InChIInChI=1S/C15H23F3N2/c1-12-8-13(15(16,17)18)10-14(2,9-12)11-20-6-4-19(3)5-7-20/h8,10H,4-7,9,11H2,1-3H3
InChIKeyCROSQSVSUYTAFJ-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.08
Rot. Bonds2

About 1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine

1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine (PubChem CID 142853246) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine
PubChem CID142853246
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine
SMILESCC1=CC(C(F)(F)F)=CC(C)(CN2CCN(C)CC2)C1
InChIInChI=1S/C15H23F3N2/c1-12-8-13(15(16,17)18)10-14(2,9-12)11-20-6-4-19(3)5-7-20/h8,10H,4-7,9,11H2,1-3H3
InChIKeyCROSQSVSUYTAFJ-UHFFFAOYSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.08
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-Methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine
CID 123679716
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426
1-[[4,4-Dimethyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]cyclohexen-1-yl]methyl]-4-methylpiperazine
CID 139554288
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine
CID 142044686
1-[[1,5-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine
CID 142853165
(4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine
CID 143866509
1-Methyl-4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperazine
CID 170025811
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 173170278
1-(Iodomethyl)-4-[[3-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine
CID 153660438
1,4-Dimethyl-4-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 158423370
1-Methyl-4-[3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 162561498

Frequently Asked Questions

What is the IUPAC name of 1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine (CID 142853246) is 1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine is CC1=CC(C(F)(F)F)=CC(C)(CN2CCN(C)CC2)C1.
What is the InChIKey of 1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine?
The InChIKey is CROSQSVSUYTAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-12-8-13(15(16,17)18)10-14(2,9-12)11-20-6-4-19(3)5-7-20/h8,10H,4-7,9,11H2,1-3H3.
What are the key properties of 1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine?
1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine has a molecular weight of 288.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,5-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 142853246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).