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

C22H26F6N4 — CID 89442736

IUPAC4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
SMILESFc1ccc(-c2cn(CCN3CCC(F)(F)CC3)c(C3CCNCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H26F6N4/c23-18-2-1-16(13-17(18)22(26,27)28)19-14-32(20(30-19)15-3-7-29-8-4-15)12-11-31-9-5-21(24,25)6-10-31/h1-2,13-15,29H,3-12H2
InChIKeyUVEMXCAFLKWAGG-UHFFFAOYSA-N
MW460.47 g/mol
LogP4.91
Rot. Bonds5

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

4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine (PubChem CID 89442736) has the molecular formula C22H26F6N4 and a molecular weight of 460.47 g/mol. Its IUPAC name is 4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
PubChem CID89442736
Molecular FormulaC22H26F6N4
Molecular Weight460.47 g/mol
Exact Mass460.21
IUPAC Name4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
SMILESFc1ccc(-c2cn(CCN3CCC(F)(F)CC3)c(C3CCNCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H26F6N4/c23-18-2-1-16(13-17(18)22(26,27)28)19-14-32(20(30-19)15-3-7-29-8-4-15)12-11-31-9-5-21(24,25)6-10-31/h1-2,13-15,29H,3-12H2
InChIKeyUVEMXCAFLKWAGG-UHFFFAOYSA-N
XLogP4.91
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
The IUPAC name of 4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine (CID 89442736) is 4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine is Fc1ccc(-c2cn(CCN3CCC(F)(F)CC3)c(C3CCNCC3)n2)cc1C(F)(F)F.
What is the InChIKey of 4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
The InChIKey is UVEMXCAFLKWAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F6N4/c23-18-2-1-16(13-17(18)22(26,27)28)19-14-32(20(30-19)15-3-7-29-8-4-15)12-11-31-9-5-21(24,25)6-10-31/h1-2,13-15,29H,3-12H2.
What are the key properties of 4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine has a molecular weight of 460.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 89442736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).