1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine

C22H28F4N4 — CID 89442611

IUPAC1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
SMILESFc1ccc(-c2cn(CCN3CCCCC3)c(C3CCNCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H28F4N4/c23-19-5-4-17(14-18(19)22(24,25)26)20-15-30(13-12-29-10-2-1-3-11-29)21(28-20)16-6-8-27-9-7-16/h4-5,14-16,27H,1-3,6-13H2
InChIKeyJEYWHZDVWUYIHI-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.66
Rot. Bonds5

About 1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine

1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine (PubChem CID 89442611) has the molecular formula C22H28F4N4 and a molecular weight of 424.49 g/mol. Its IUPAC name is 1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
PubChem CID89442611
Molecular FormulaC22H28F4N4
Molecular Weight424.49 g/mol
Exact Mass424.23
IUPAC Name1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
SMILESFc1ccc(-c2cn(CCN3CCCCC3)c(C3CCNCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H28F4N4/c23-19-5-4-17(14-18(19)22(24,25)26)20-15-30(13-12-29-10-2-1-3-11-29)21(28-20)16-6-8-27-9-7-16/h4-5,14-16,27H,1-3,6-13H2
InChIKeyJEYWHZDVWUYIHI-UHFFFAOYSA-N
XLogP4.66
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine (CID 89442611) is 1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine is Fc1ccc(-c2cn(CCN3CCCCC3)c(C3CCNCC3)n2)cc1C(F)(F)F.
What is the InChIKey of 1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
The InChIKey is JEYWHZDVWUYIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F4N4/c23-19-5-4-17(14-18(19)22(24,25)26)20-15-30(13-12-29-10-2-1-3-11-29)21(28-20)16-6-8-27-9-7-16/h4-5,14-16,27H,1-3,6-13H2.
What are the key properties of 1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine has a molecular weight of 424.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 89442611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).