2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine

C10H14F3N3 — CID 150932236

IUPAC2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESFC(F)(F)CN1CCCCC1c1ncc[nH]1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)7-16-6-2-1-3-8(16)9-14-4-5-15-9/h4-5,8H,1-3,6-7H2,(H,14,15)
InChIKeyLGGVYQKOMANMEL-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.50
Rot. Bonds2

About 2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine

2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 150932236) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID150932236
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESFC(F)(F)CN1CCCCC1c1ncc[nH]1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)7-16-6-2-1-3-8(16)9-14-4-5-15-9/h4-5,8H,1-3,6-7H2,(H,14,15)
InChIKeyLGGVYQKOMANMEL-UHFFFAOYSA-N
XLogP2.50
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine (CID 150932236) is 2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine is FC(F)(F)CN1CCCCC1c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is LGGVYQKOMANMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)7-16-6-2-1-3-8(16)9-14-4-5-15-9/h4-5,8H,1-3,6-7H2,(H,14,15).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine?
2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 233.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 150932236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).