3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile

C15H15FN4 — CID 118427029

IUPAC3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile
SMILESN#Cc1c(C2CCNCC2)ncn1-c1cccc(F)c1
InChIInChI=1S/C15H15FN4/c16-12-2-1-3-13(8-12)20-10-19-15(14(20)9-17)11-4-6-18-7-5-11/h1-3,8,10-11,18H,4-7H2
InChIKeyLYCSSXBFTAEZDP-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.35
Rot. Bonds2

About 3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile

3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile (PubChem CID 118427029) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile
PubChem CID118427029
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile
SMILESN#Cc1c(C2CCNCC2)ncn1-c1cccc(F)c1
InChIInChI=1S/C15H15FN4/c16-12-2-1-3-13(8-12)20-10-19-15(14(20)9-17)11-4-6-18-7-5-11/h1-3,8,10-11,18H,4-7H2
InChIKeyLYCSSXBFTAEZDP-UHFFFAOYSA-N
XLogP2.35
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 63788275
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine
CID 66509747
(7R)-7-(3,4-difluorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51971543
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride
CID 71298711
2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile
CID 82084653
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
(3S,5S)-5-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 156500367
2-fluoro-5-piperidin-4-ylbenzonitrile
CID 16679511
2,3-difluoro-6-piperidin-4-ylbenzonitrile
CID 177334116
(7R)-7-(3-fluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047660
8-methyl-1-piperidin-4-ylimidazo[1,5-a]pyridine
CID 83835719
4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 66490831

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile?
The IUPAC name of 3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile (CID 118427029) is 3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile.
What is the SMILES notation for 3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile?
The canonical SMILES for 3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile is N#Cc1c(C2CCNCC2)ncn1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile?
The InChIKey is LYCSSXBFTAEZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c16-12-2-1-3-13(8-12)20-10-19-15(14(20)9-17)11-4-6-18-7-5-11/h1-3,8,10-11,18H,4-7H2.
What are the key properties of 3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile?
3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile has a molecular weight of 270.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile is sourced from PubChem (CID 118427029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).