2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine

C18H20FIN2O2 — CID 90157933

IUPAC2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine
SMILESCCOc1ccc(F)c(N2CCC(Oc3ccc(I)cn3)CC2)c1
InChIInChI=1S/C18H20FIN2O2/c1-2-23-15-4-5-16(19)17(11-15)22-9-7-14(8-10-22)24-18-6-3-13(20)12-21-18/h3-6,11-12,14H,2,7-10H2,1H3
InChIKeyTXINJQDTOWBRRI-UHFFFAOYSA-N
MW442.27 g/mol
LogP4.27
Rot. Bonds5

About 2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine

2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine (PubChem CID 90157933) has the molecular formula C18H20FIN2O2 and a molecular weight of 442.27 g/mol. Its IUPAC name is 2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine.

Molecular Properties

Compound Name2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine
PubChem CID90157933
Molecular FormulaC18H20FIN2O2
Molecular Weight442.27 g/mol
Exact Mass442.06
IUPAC Name2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine
SMILESCCOc1ccc(F)c(N2CCC(Oc3ccc(I)cn3)CC2)c1
InChIInChI=1S/C18H20FIN2O2/c1-2-23-15-4-5-16(19)17(11-15)22-9-7-14(8-10-22)24-18-6-3-13(20)12-21-18/h3-6,11-12,14H,2,7-10H2,1H3
InChIKeyTXINJQDTOWBRRI-UHFFFAOYSA-N
XLogP4.27
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.27
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine?
The IUPAC name of 2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine (CID 90157933) is 2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine.
What is the SMILES notation for 2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine?
The canonical SMILES for 2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine is CCOc1ccc(F)c(N2CCC(Oc3ccc(I)cn3)CC2)c1.
What is the InChIKey of 2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine?
The InChIKey is TXINJQDTOWBRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FIN2O2/c1-2-23-15-4-5-16(19)17(11-15)22-9-7-14(8-10-22)24-18-6-3-13(20)12-21-18/h3-6,11-12,14H,2,7-10H2,1H3.
What are the key properties of 2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine?
2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine has a molecular weight of 442.27 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine is sourced from PubChem (CID 90157933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).