2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol

C21H22FNO2 — CID 70218703

IUPAC2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)(c2ccc(F)cc2)c2occ3ccccc23)CC1
InChIInChI=1S/C21H22FNO2/c1-23-12-10-17(11-13-23)21(24,16-6-8-18(22)9-7-16)20-19-5-3-2-4-15(19)14-25-20/h2-9,14,17,24H,10-13H2,1H3
InChIKeyRXKJKJFSJMHSRO-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.15
Rot. Bonds3

About 2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol

2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol (PubChem CID 70218703) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol
PubChem CID70218703
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)(c2ccc(F)cc2)c2occ3ccccc23)CC1
InChIInChI=1S/C21H22FNO2/c1-23-12-10-17(11-13-23)21(24,16-6-8-18(22)9-7-16)20-19-5-3-2-4-15(19)14-25-20/h2-9,14,17,24H,10-13H2,1H3
InChIKeyRXKJKJFSJMHSRO-UHFFFAOYSA-N
XLogP4.15
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol?
The IUPAC name of 2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol (CID 70218703) is 2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol.
What is the SMILES notation for 2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol?
The canonical SMILES for 2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol is CN1CCC(C(O)(c2ccc(F)cc2)c2occ3ccccc23)CC1.
What is the InChIKey of 2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol?
The InChIKey is RXKJKJFSJMHSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-23-12-10-17(11-13-23)21(24,16-6-8-18(22)9-7-16)20-19-5-3-2-4-15(19)14-25-20/h2-9,14,17,24H,10-13H2,1H3.
What are the key properties of 2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol?
2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol has a molecular weight of 339.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-1-yl-(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 70218703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).