1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine

C22H30F4N4 — CID 89442761

IUPAC1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
SMILESFC(F)(F)C1(F)C=CC=C(c2cn(CCN3CCCCC3)c(C3CCNCC3)n2)C1
InChIInChI=1S/C22H30F4N4/c23-21(22(24,25)26)8-4-5-18(15-21)19-16-30(14-13-29-11-2-1-3-12-29)20(28-19)17-6-9-27-10-7-17/h4-5,8,16-17,27H,1-3,6-7,9-15H2
InChIKeyOHOLKTYGCMWHJY-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.45
Rot. Bonds5

About 1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine

1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine (PubChem CID 89442761) has the molecular formula C22H30F4N4 and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
PubChem CID89442761
Molecular FormulaC22H30F4N4
Molecular Weight426.50 g/mol
Exact Mass426.24
IUPAC Name1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
SMILESFC(F)(F)C1(F)C=CC=C(c2cn(CCN3CCCCC3)c(C3CCNCC3)n2)C1
InChIInChI=1S/C22H30F4N4/c23-21(22(24,25)26)8-4-5-18(15-21)19-16-30(14-13-29-11-2-1-3-12-29)20(28-19)17-6-9-27-10-7-17/h4-5,8,16-17,27H,1-3,6-7,9-15H2
InChIKeyOHOLKTYGCMWHJY-UHFFFAOYSA-N
XLogP4.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[3-(Difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]methyl]-1-methylpiperidine
CID 70886626
3-[4-[2-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-7-methylidene-8H-imidazo[1,2-a]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 87057977
4-Fluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
CID 89442535
3,3-Difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
CID 89442603
1-(2-(4-(4-fluoro-3-(trifluoromethyl)phenyl)-2-(piperidin-4-yl)-1H-imidazol-1-yl)ethyl)piperidine
CID 89442611
4-[4-(4-Fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 89442663
4,4-Difluoro-1-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
CID 89442736
3-Fluoro-1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
CID 89442822
N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)pyridin-4-yl]imidazol-1-yl]ethanamine
CID 90158510
4-[1-[2-(azetidin-1-yl)ethyl]-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-4-yl]-2-(trifluoromethyl)pyridine
CID 90454194
4-[4-(5-Fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine
CID 118297224
4-[1-[2-(Azetidin-1-yl)ethyl]-2-(3-fluoropiperidin-4-yl)imidazol-4-yl]-2-(trifluoromethyl)pyridine
CID 118662367

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine (CID 89442761) is 1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine is FC(F)(F)C1(F)C=CC=C(c2cn(CCN3CCCCC3)c(C3CCNCC3)n2)C1.
What is the InChIKey of 1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
The InChIKey is OHOLKTYGCMWHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F4N4/c23-21(22(24,25)26)8-4-5-18(15-21)19-16-30(14-13-29-11-2-1-3-12-29)20(28-19)17-6-9-27-10-7-17/h4-5,8,16-17,27H,1-3,6-7,9-15H2.
What are the key properties of 1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine?
1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine has a molecular weight of 426.50 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 89442761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).