1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine

C12H17F3N2 — CID 143486757

IUPAC1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
SMILESCC1CC=C(C(F)(F)F)C=C1N1CCNCC1
InChIInChI=1S/C12H17F3N2/c1-9-2-3-10(12(13,14)15)8-11(9)17-6-4-16-5-7-17/h3,8-9,16H,2,4-7H2,1H3
InChIKeyLXQABWFCLPIJOP-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.30
Rot. Bonds1

About 1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine

1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine (PubChem CID 143486757) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine.

Molecular Properties

Compound Name1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
PubChem CID143486757
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
SMILESCC1CC=C(C(F)(F)F)C=C1N1CCNCC1
InChIInChI=1S/C12H17F3N2/c1-9-2-3-10(12(13,14)15)8-11(9)17-6-4-16-5-7-17/h3,8-9,16H,2,4-7H2,1H3
InChIKeyLXQABWFCLPIJOP-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-Methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 70148604
1-(5,5,6,6-Tetrafluorocyclohexa-1,3-dien-1-yl)piperazine
CID 87668495
1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
(3E)-4-[4-[(3E)-3-ethyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazin-1-yl]-N-(2-methylpropyl)penta-1,3-dien-2-amine
CID 88576759
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90224007
(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 90268007
1-(3,5-Difluorocyclohexa-1,3-dien-1-yl)piperazine
CID 91293090
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-[[3,7-Dimethyl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]piperazine
CID 123832271

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine?
The IUPAC name of 1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine (CID 143486757) is 1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine.
What is the SMILES notation for 1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine?
The canonical SMILES for 1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine is CC1CC=C(C(F)(F)F)C=C1N1CCNCC1.
What is the InChIKey of 1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine?
The InChIKey is LXQABWFCLPIJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-9-2-3-10(12(13,14)15)8-11(9)17-6-4-16-5-7-17/h3,8-9,16H,2,4-7H2,1H3.
What are the key properties of 1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine?
1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine has a molecular weight of 246.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine is sourced from PubChem (CID 143486757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).