1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

C11H16F3N3 — CID 167890054

IUPAC1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C11H16F3N3/c1-2-17-5-3-8(4-6-17)10-15-7-9(16-10)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyWLTAFEXYMNENJY-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.63
Rot. Bonds2

About 1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (PubChem CID 167890054) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
PubChem CID167890054
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C11H16F3N3/c1-2-17-5-3-8(4-6-17)10-15-7-9(16-10)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyWLTAFEXYMNENJY-UHFFFAOYSA-N
XLogP2.63
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (CID 167890054) is 1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is CCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is WLTAFEXYMNENJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-2-17-5-3-8(4-6-17)10-15-7-9(16-10)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 247.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 167890054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).