1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine

C9H13F3N4 — CID 174286758

IUPAC1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine
SMILESFC(F)(F)c1nc[nH]c1CN1CCNCC1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-7(14-6-15-8)5-16-3-1-13-2-4-16/h6,13H,1-5H2,(H,14,15)
InChIKeyKPEPODNORSXKTC-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.83
Rot. Bonds2

About 1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine

1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine (PubChem CID 174286758) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine
PubChem CID174286758
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine
SMILESFC(F)(F)c1nc[nH]c1CN1CCNCC1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-7(14-6-15-8)5-16-3-1-13-2-4-16/h6,13H,1-5H2,(H,14,15)
InChIKeyKPEPODNORSXKTC-UHFFFAOYSA-N
XLogP0.83
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine?
The IUPAC name of 1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine (CID 174286758) is 1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine is FC(F)(F)c1nc[nH]c1CN1CCNCC1.
What is the InChIKey of 1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine?
The InChIKey is KPEPODNORSXKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)8-7(14-6-15-8)5-16-3-1-13-2-4-16/h6,13H,1-5H2,(H,14,15).
What are the key properties of 1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine?
1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine has a molecular weight of 234.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine is sourced from PubChem (CID 174286758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).