1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]

C20H23FN2O2 — CID 71655457

IUPAC1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cn1
InChIInChI=1S/C20H23FN2O2/c21-9-12-24-19-6-5-16(13-22-19)14-23-10-7-20(8-11-23)18-4-2-1-3-17(18)15-25-20/h1-6,13H,7-12,14-15H2
InChIKeyGDYUUSCWDKARNO-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.45
Rot. Bonds5

About 1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]

1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 71655457) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID71655457
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cn1
InChIInChI=1S/C20H23FN2O2/c21-9-12-24-19-6-5-16(13-22-19)14-23-10-7-20(8-11-23)18-4-2-1-3-17(18)15-25-20/h1-6,13H,7-12,14-15H2
InChIKeyGDYUUSCWDKARNO-UHFFFAOYSA-N
XLogP3.45
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 71655457) is 1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is FCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cn1.
What is the InChIKey of 1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is GDYUUSCWDKARNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-9-12-24-19-6-5-16(13-22-19)14-23-10-7-20(8-11-23)18-4-2-1-3-17(18)15-25-20/h1-6,13H,7-12,14-15H2.
What are the key properties of 1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 342.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[6-(2-fluoroethoxy)-3-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 71655457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).