6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile

C22H19FN4O — CID 66806435

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C22H19FN4O/c23-17-3-7-21(8-4-17)28-20-5-1-16(2-6-20)22-14-19(13-18(15-24)26-22)27-11-9-25-10-12-27/h1-8,13-14,25H,9-12H2
InChIKeyVQORVUBXQIQLRB-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.96
Rot. Bonds4

About 6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile

6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile (PubChem CID 66806435) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile
PubChem CID66806435
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C22H19FN4O/c23-17-3-7-21(8-4-17)28-20-5-1-16(2-6-20)22-14-19(13-18(15-24)26-22)27-11-9-25-10-12-27/h1-8,13-14,25H,9-12H2
InChIKeyVQORVUBXQIQLRB-UHFFFAOYSA-N
XLogP3.96
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile (CID 66806435) is 6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile is N#Cc1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile?
The InChIKey is VQORVUBXQIQLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-17-3-7-21(8-4-17)28-20-5-1-16(2-6-20)22-14-19(13-18(15-24)26-22)27-11-9-25-10-12-27/h1-8,13-14,25H,9-12H2.
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile?
6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile has a molecular weight of 374.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile is sourced from PubChem (CID 66806435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).