3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine

C20H20FNO2 — CID 22127000

IUPAC3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CCNCC2OCc2ccc3occc3c2)cc1
InChIInChI=1S/C20H20FNO2/c21-17-4-2-15(3-5-17)18-7-9-22-12-20(18)24-13-14-1-6-19-16(11-14)8-10-23-19/h1-6,8,10-11,18,20,22H,7,9,12-13H2
InChIKeyXXDXCKDXLOPZOL-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.23
Rot. Bonds4

About 3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine

3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine (PubChem CID 22127000) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine
PubChem CID22127000
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CCNCC2OCc2ccc3occc3c2)cc1
InChIInChI=1S/C20H20FNO2/c21-17-4-2-15(3-5-17)18-7-9-22-12-20(18)24-13-14-1-6-19-16(11-14)8-10-23-19/h1-6,8,10-11,18,20,22H,7,9,12-13H2
InChIKeyXXDXCKDXLOPZOL-UHFFFAOYSA-N
XLogP4.23
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine?
The IUPAC name of 3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine (CID 22127000) is 3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine.
What is the SMILES notation for 3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine?
The canonical SMILES for 3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine is Fc1ccc(C2CCNCC2OCc2ccc3occc3c2)cc1.
What is the InChIKey of 3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine?
The InChIKey is XXDXCKDXLOPZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c21-17-4-2-15(3-5-17)18-7-9-22-12-20(18)24-13-14-1-6-19-16(11-14)8-10-23-19/h1-6,8,10-11,18,20,22H,7,9,12-13H2.
What are the key properties of 3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine?
3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine has a molecular weight of 325.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-ylmethoxy)-4-(4-fluorophenyl)piperidine is sourced from PubChem (CID 22127000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).