4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile

C20H21FN2O — CID 10805917

IUPAC4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile
SMILESN#Cc1ccc(OCC2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN2O/c21-19-5-1-17(2-6-19)14-23-11-9-18(10-12-23)15-24-20-7-3-16(13-22)4-8-20/h1-8,18H,9-12,14-15H2
InChIKeyIFUAPMVHYZVHKY-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.99
Rot. Bonds5

About 4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile

4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile (PubChem CID 10805917) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile
PubChem CID10805917
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile
SMILESN#Cc1ccc(OCC2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN2O/c21-19-5-1-17(2-6-19)14-23-11-9-18(10-12-23)15-24-20-7-3-16(13-22)4-8-20/h1-8,18H,9-12,14-15H2
InChIKeyIFUAPMVHYZVHKY-UHFFFAOYSA-N
XLogP3.99
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile?
The IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile (CID 10805917) is 4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile.
What is the SMILES notation for 4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile?
The canonical SMILES for 4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile is N#Cc1ccc(OCC2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile?
The InChIKey is IFUAPMVHYZVHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-19-5-1-17(2-6-19)14-23-11-9-18(10-12-23)15-24-20-7-3-16(13-22)4-8-20/h1-8,18H,9-12,14-15H2.
What are the key properties of 4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile?
4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile has a molecular weight of 324.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]benzonitrile is sourced from PubChem (CID 10805917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).