4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile

C24H22FN3O — CID 127027036

IUPAC4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O/c25-21-7-5-20(6-8-21)24-23(19-3-1-17(14-26)2-4-19)13-22(15-28-24)29-16-18-9-11-27-12-10-18/h1-8,13,15,18,27H,9-12,16H2
InChIKeyKXOZNCMORYVYAA-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.80
Rot. Bonds5

About 4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile

4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile (PubChem CID 127027036) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
PubChem CID127027036
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O/c25-21-7-5-20(6-8-21)24-23(19-3-1-17(14-26)2-4-19)13-22(15-28-24)29-16-18-9-11-27-12-10-18/h1-8,13,15,18,27H,9-12,16H2
InChIKeyKXOZNCMORYVYAA-UHFFFAOYSA-N
XLogP4.80
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile (CID 127027036) is 4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile is N#Cc1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile?
The InChIKey is KXOZNCMORYVYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c25-21-7-5-20(6-8-21)24-23(19-3-1-17(14-26)2-4-19)13-22(15-28-24)29-16-18-9-11-27-12-10-18/h1-8,13,15,18,27H,9-12,16H2.
What are the key properties of 4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile?
4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile has a molecular weight of 387.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 127027036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).