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

C22H27F5N4 — CID 89442535

IUPAC4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
SMILESFc1ccc(-c2cn(CCN3CCC(F)CC3)c(C3CCNCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H27F5N4/c23-17-5-9-30(10-6-17)11-12-31-14-20(29-21(31)15-3-7-28-8-4-15)16-1-2-19(24)18(13-16)22(25,26)27/h1-2,13-15,17,28H,3-12H2
InChIKeyBKOXMFFLFLFYPF-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.61
Rot. Bonds5

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

4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine (PubChem CID 89442535) has the molecular formula C22H27F5N4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
PubChem CID89442535
Molecular FormulaC22H27F5N4
Molecular Weight442.48 g/mol
Exact Mass442.22
IUPAC Name4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
SMILESFc1ccc(-c2cn(CCN3CCC(F)CC3)c(C3CCNCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H27F5N4/c23-17-5-9-30(10-6-17)11-12-31-14-20(29-21(31)15-3-7-28-8-4-15)16-1-2-19(24)18(13-16)22(25,26)27/h1-2,13-15,17,28H,3-12H2
InChIKeyBKOXMFFLFLFYPF-UHFFFAOYSA-N
XLogP4.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
The IUPAC name of 4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine (CID 89442535) is 4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
The canonical SMILES for 4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine is Fc1ccc(-c2cn(CCN3CCC(F)CC3)c(C3CCNCC3)n2)cc1C(F)(F)F.
What is the InChIKey of 4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
The InChIKey is BKOXMFFLFLFYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F5N4/c23-17-5-9-30(10-6-17)11-12-31-14-20(29-21(31)15-3-7-28-8-4-15)16-1-2-19(24)18(13-16)22(25,26)27/h1-2,13-15,17,28H,3-12H2.
What are the key properties of 4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine has a molecular weight of 442.48 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 89442535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).