1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine

C15H23F3N2 — CID 143150984

IUPAC1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine
SMILESCCCN1CCN(C2CC=CC(C(F)(F)F)=C2C)CC1
InChIInChI=1S/C15H23F3N2/c1-3-7-19-8-10-20(11-9-19)14-6-4-5-13(12(14)2)15(16,17)18/h4-5,14H,3,6-11H2,1-2H3
InChIKeyXMXBOYPIFHVCGQ-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.22
Rot. Bonds3

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

1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine (PubChem CID 143150984) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine
PubChem CID143150984
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine
SMILESCCCN1CCN(C2CC=CC(C(F)(F)F)=C2C)CC1
InChIInChI=1S/C15H23F3N2/c1-3-7-19-8-10-20(11-9-19)14-6-4-5-13(12(14)2)15(16,17)18/h4-5,14H,3,6-11H2,1-2H3
InChIKeyXMXBOYPIFHVCGQ-UHFFFAOYSA-N
XLogP3.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.22
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
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
1-[2-(Trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
CID 91187711
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-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-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine?
The IUPAC name of 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine (CID 143150984) is 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine.
What is the SMILES notation for 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine?
The canonical SMILES for 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine is CCCN1CCN(C2CC=CC(C(F)(F)F)=C2C)CC1.
What is the InChIKey of 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine?
The InChIKey is XMXBOYPIFHVCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-3-7-19-8-10-20(11-9-19)14-6-4-5-13(12(14)2)15(16,17)18/h4-5,14H,3,6-11H2,1-2H3.
What are the key properties of 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine?
1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine has a molecular weight of 288.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine is sourced from PubChem (CID 143150984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).