3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile

C19H20FN3O — CID 177267703

IUPAC3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile
SMILESN#Cc1ccc(CCc2cccc(OC3CCNCC3)n2)c(F)c1
InChIInChI=1S/C19H20FN3O/c20-18-12-14(13-21)4-5-15(18)6-7-16-2-1-3-19(23-16)24-17-8-10-22-11-9-17/h1-5,12,17,22H,6-11H2
InChIKeyWMJXWGSAZRWGSA-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.01
Rot. Bonds5

About 3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile

3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile (PubChem CID 177267703) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile
PubChem CID177267703
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile
SMILESN#Cc1ccc(CCc2cccc(OC3CCNCC3)n2)c(F)c1
InChIInChI=1S/C19H20FN3O/c20-18-12-14(13-21)4-5-15(18)6-7-16-2-1-3-19(23-16)24-17-8-10-22-11-9-17/h1-5,12,17,22H,6-11H2
InChIKeyWMJXWGSAZRWGSA-UHFFFAOYSA-N
XLogP3.01
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile (CID 177267703) is 3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile is N#Cc1ccc(CCc2cccc(OC3CCNCC3)n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile?
The InChIKey is WMJXWGSAZRWGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-18-12-14(13-21)4-5-15(18)6-7-16-2-1-3-19(23-16)24-17-8-10-22-11-9-17/h1-5,12,17,22H,6-11H2.
What are the key properties of 3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile?
3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile has a molecular weight of 325.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(6-piperidin-4-yloxy-2-pyridinyl)ethyl]benzonitrile is sourced from PubChem (CID 177267703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).