5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile

C18H19FN2O2 — CID 75474170

IUPAC5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CN2CCC(OCc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C18H19FN2O2/c19-15-3-1-14(2-4-15)13-22-16-7-9-21(10-8-16)12-18-6-5-17(11-20)23-18/h1-6,16H,7-10,12-13H2
InChIKeyAKZYPZXBLUVDFF-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.47
Rot. Bonds5

About 5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile

5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile (PubChem CID 75474170) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile
PubChem CID75474170
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CN2CCC(OCc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C18H19FN2O2/c19-15-3-1-14(2-4-15)13-22-16-7-9-21(10-8-16)12-18-6-5-17(11-20)23-18/h1-6,16H,7-10,12-13H2
InChIKeyAKZYPZXBLUVDFF-UHFFFAOYSA-N
XLogP3.47
TPSA49.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile (CID 75474170) is 5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile is N#Cc1ccc(CN2CCC(OCc3ccc(F)cc3)CC2)o1.
What is the InChIKey of 5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile?
The InChIKey is AKZYPZXBLUVDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-15-3-1-14(2-4-15)13-22-16-7-9-21(10-8-16)12-18-6-5-17(11-20)23-18/h1-6,16H,7-10,12-13H2.
What are the key properties of 5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile?
5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile has a molecular weight of 314.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carbonitrile is sourced from PubChem (CID 75474170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).