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

C19H20FNO — CID 44574529

IUPAC1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C19H20FNO/c20-17-7-5-15(6-8-17)13-21-11-9-19(10-12-21)18-4-2-1-3-16(18)14-22-19/h1-8H,9-14H2
InChIKeyIXCUXQYCEDZXOJ-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.85
Rot. Bonds2

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

1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 44574529) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID44574529
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C19H20FNO/c20-17-7-5-15(6-8-17)13-21-11-9-19(10-12-21)18-4-2-1-3-16(18)14-22-19/h1-8H,9-14H2
InChIKeyIXCUXQYCEDZXOJ-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 44574529) is 1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is Fc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is IXCUXQYCEDZXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-17-7-5-15(6-8-17)13-21-11-9-19(10-12-21)18-4-2-1-3-16(18)14-22-19/h1-8H,9-14H2.
What are the key properties of 1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 297.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 44574529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).