2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile

C16H15FN4 — CID 24699773

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C16H15FN4/c17-14-1-3-15(4-2-14)20-7-9-21(10-8-20)16-11-13(12-18)5-6-19-16/h1-6,11H,7-10H2
InChIKeyGIBBRNIAOYGGKE-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.42
Rot. Bonds2

About 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile

2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 24699773) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID24699773
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C16H15FN4/c17-14-1-3-15(4-2-14)20-7-9-21(10-8-20)16-11-13(12-18)5-6-19-16/h1-6,11H,7-10H2
InChIKeyGIBBRNIAOYGGKE-UHFFFAOYSA-N
XLogP2.42
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile (CID 24699773) is 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is GIBBRNIAOYGGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-14-1-3-15(4-2-14)20-7-9-21(10-8-20)16-11-13(12-18)5-6-19-16/h1-6,11H,7-10H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 282.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 24699773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).