1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine

C22H25FN2O — CID 15839997

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
SMILESFc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCC4)CC1)C2
InChIInChI=1S/C22H25FN2O/c23-18-5-4-16-13-20(14-17(16)12-18)24-19-6-9-25(10-7-19)21-3-1-2-15-8-11-26-22(15)21/h1-5,12,19-20,24H,6-11,13-14H2
InChIKeyDIFUSAAJEXBWDZ-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.49
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine

1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine (PubChem CID 15839997) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
PubChem CID15839997
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
SMILESFc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCC4)CC1)C2
InChIInChI=1S/C22H25FN2O/c23-18-5-4-16-13-20(14-17(16)12-18)24-19-6-9-25(10-7-19)21-3-1-2-15-8-11-26-22(15)21/h1-5,12,19-20,24H,6-11,13-14H2
InChIKeyDIFUSAAJEXBWDZ-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine (CID 15839997) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine is Fc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCC4)CC1)C2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The InChIKey is DIFUSAAJEXBWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-18-5-4-16-13-20(14-17(16)12-18)24-19-6-9-25(10-7-19)21-3-1-2-15-8-11-26-22(15)21/h1-5,12,19-20,24H,6-11,13-14H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine has a molecular weight of 352.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine is sourced from PubChem (CID 15839997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).