1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine

C10H15F3N4 — CID 82623000

IUPAC1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine
SMILESCn1c(CN2CCNCC2)cnc1C(F)(F)F
InChIInChI=1S/C10H15F3N4/c1-16-8(6-15-9(16)10(11,12)13)7-17-4-2-14-3-5-17/h6,14H,2-5,7H2,1H3
InChIKeySRDPKZMLLWYXPP-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.84
Rot. Bonds2

About 1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine

1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine (PubChem CID 82623000) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine
PubChem CID82623000
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine
SMILESCn1c(CN2CCNCC2)cnc1C(F)(F)F
InChIInChI=1S/C10H15F3N4/c1-16-8(6-15-9(16)10(11,12)13)7-17-4-2-14-3-5-17/h6,14H,2-5,7H2,1H3
InChIKeySRDPKZMLLWYXPP-UHFFFAOYSA-N
XLogP0.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-thiazole
CID 120833610
7-(piperazin-1-ylmethyl)imidazo[1,2-b][1,2,4]triazine
CID 83888234
1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine
CID 117192715
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 162536610
1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
CID 117188331
3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine
CID 83840549
1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 82620222
5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole
CID 117176642
1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 82622598
1-[(1-ethylpyrrol-2-yl)methyl]piperazine
CID 82505182
1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole
CID 117196130
5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 84780252

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine (CID 82623000) is 1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine is Cn1c(CN2CCNCC2)cnc1C(F)(F)F.
What is the InChIKey of 1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine?
The InChIKey is SRDPKZMLLWYXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-16-8(6-15-9(16)10(11,12)13)7-17-4-2-14-3-5-17/h6,14H,2-5,7H2,1H3.
What are the key properties of 1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine?
1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine has a molecular weight of 248.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine is sourced from PubChem (CID 82623000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).