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

C10H14F3N3 — CID 174287847

IUPAC4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine
SMILESFC(F)(F)c1nccn1CC1CCNCC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-15-5-6-16(9)7-8-1-3-14-4-2-8/h5-6,8,14H,1-4,7H2
InChIKeyLLUSJXBMBKNSCJ-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.90
Rot. Bonds2

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

4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine (PubChem CID 174287847) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine
PubChem CID174287847
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine
SMILESFC(F)(F)c1nccn1CC1CCNCC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-15-5-6-16(9)7-8-1-3-14-4-2-8/h5-6,8,14H,1-4,7H2
InChIKeyLLUSJXBMBKNSCJ-UHFFFAOYSA-N
XLogP1.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine?
The IUPAC name of 4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine (CID 174287847) is 4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine is FC(F)(F)c1nccn1CC1CCNCC1.
What is the InChIKey of 4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine?
The InChIKey is LLUSJXBMBKNSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)9-15-5-6-16(9)7-8-1-3-14-4-2-8/h5-6,8,14H,1-4,7H2.
What are the key properties of 4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine?
4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine has a molecular weight of 233.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperidine is sourced from PubChem (CID 174287847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).