1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol

C22H28N2O3 — CID 46967110

About 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol

1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 46967110) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

• Compound Name: 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
• PubChem CID: 46967110
• Molecular Formula: C22H28N2O3
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.21
• IUPAC Name: 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
• SMILES: CCOc1cc2c(cc1CN1CCC(O)(c3cccnc3)CC1)OC(C)C2
• InChI: InChI=1S/C22H28N2O3/c1-3-26-20-12-17-11-16(2)27-21(17)13-18(20)15-24-9-6-22(25,7-10-24)19-5-4-8-23-14-19/h4-5,8,12-14,16,25H,3,6-7,9-11,15H2,1-2H3
• InChIKey: HETKISADYXHSIF-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?

The IUPAC name of 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol (CID 46967110) is 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol.

What is the SMILES notation for 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?

The canonical SMILES for 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol is CCOc1cc2c(cc1CN1CCC(O)(c3cccnc3)CC1)OC(C)C2.

What is the InChIKey of 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?

The InChIKey is HETKISADYXHSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-26-20-12-17-11-16(2)27-21(17)13-18(20)15-24-9-6-22(25,7-10-24)19-5-4-8-23-14-19/h4-5,8,12-14,16,25H,3,6-7,9-11,15H2,1-2H3.

What are the key properties of 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?

1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 368.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 46967110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).