2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol

C29H32N2O2 — CID 71666898

IUPAC2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol
SMILESOc1ccc2oc(-c3cccc4ccccc34)cc2c1CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C29H32N2O2/c32-27-11-12-28-25(19-29(33-28)24-10-6-8-21-7-2-3-9-23(21)24)26(27)20-30-17-13-22(14-18-30)31-15-4-1-5-16-31/h2-3,6-12,19,22,32H,1,4-5,13-18,20H2
InChIKeyLYTQGSUMKHXBHJ-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.41
Rot. Bonds4

About 2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol

2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol (PubChem CID 71666898) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol
PubChem CID71666898
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol
SMILESOc1ccc2oc(-c3cccc4ccccc34)cc2c1CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C29H32N2O2/c32-27-11-12-28-25(19-29(33-28)24-10-6-8-21-7-2-3-9-23(21)24)26(27)20-30-17-13-22(14-18-30)31-15-4-1-5-16-31/h2-3,6-12,19,22,32H,1,4-5,13-18,20H2
InChIKeyLYTQGSUMKHXBHJ-UHFFFAOYSA-N
XLogP6.41
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol?
The IUPAC name of 2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol (CID 71666898) is 2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol.
What is the SMILES notation for 2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol?
The canonical SMILES for 2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol is Oc1ccc2oc(-c3cccc4ccccc34)cc2c1CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol?
The InChIKey is LYTQGSUMKHXBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c32-27-11-12-28-25(19-29(33-28)24-10-6-8-21-7-2-3-9-23(21)24)26(27)20-30-17-13-22(14-18-30)31-15-4-1-5-16-31/h2-3,6-12,19,22,32H,1,4-5,13-18,20H2.
What are the key properties of 2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol?
2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol has a molecular weight of 440.59 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol is sourced from PubChem (CID 71666898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).