2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile

C18H19FN4 — CID 947920

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H19FN4/c1-13-11-14(2)21-18(17(13)12-20)23-9-7-22(8-10-23)16-5-3-15(19)4-6-16/h3-6,11H,7-10H2,1-2H3
InChIKeyZIPRQFAAHFNVBR-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.04
Rot. Bonds2

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile

2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 947920) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID947920
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H19FN4/c1-13-11-14(2)21-18(17(13)12-20)23-9-7-22(8-10-23)16-5-3-15(19)4-6-16/h3-6,11H,7-10H2,1-2H3
InChIKeyZIPRQFAAHFNVBR-UHFFFAOYSA-N
XLogP3.04
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.04
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]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (CID 947920) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ZIPRQFAAHFNVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-13-11-14(2)21-18(17(13)12-20)23-9-7-22(8-10-23)16-5-3-15(19)4-6-16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 310.38 g/mol, XLogP of 3.04, 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]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 947920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).