5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile

C16H16FN3 — CID 59930316

IUPAC5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)[nH]c1N1CCCCC1
InChIInChI=1S/C16H16FN3/c17-14-6-4-12(5-7-14)15-10-13(11-18)16(19-15)20-8-2-1-3-9-20/h4-7,10,19H,1-3,8-9H2
InChIKeyDIRYVWBFXFCJGA-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.68
Rot. Bonds2

About 5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile

5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile (PubChem CID 59930316) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
PubChem CID59930316
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)[nH]c1N1CCCCC1
InChIInChI=1S/C16H16FN3/c17-14-6-4-12(5-7-14)15-10-13(11-18)16(19-15)20-8-2-1-3-9-20/h4-7,10,19H,1-3,8-9H2
InChIKeyDIRYVWBFXFCJGA-UHFFFAOYSA-N
XLogP3.68
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930341
5-(3-fluoro-4-methoxyphenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930255
5-(4-ethoxyphenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930326
2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile
CID 59930298
5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930452
5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930376
5-(3-chlorothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrrole-3-carbonitrile
CID 1472101
5-[2-[2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-2-(3-hydroxypiperidin-1-yl)-1H-pyrrole-3-carbonitrile
CID 68712994
2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile
CID 59292183
4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile
CID 158355573
2-[(3S)-3-aminopyrrolidin-1-yl]-5-(4-fluorophenyl)benzonitrile
CID 67060424
3-(azocan-1-yl)-5-fluorobenzonitrile
CID 102815222

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile (CID 59930316) is 5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile is N#Cc1cc(-c2ccc(F)cc2)[nH]c1N1CCCCC1.
What is the InChIKey of 5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile?
The InChIKey is DIRYVWBFXFCJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c17-14-6-4-12(5-7-14)15-10-13(11-18)16(19-15)20-8-2-1-3-9-20/h4-7,10,19H,1-3,8-9H2.
What are the key properties of 5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile?
5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile has a molecular weight of 269.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 59930316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).