2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol

C20H32N2O3 — CID 95282721

About 2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol

2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol (PubChem CID 95282721) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol
• PubChem CID: 95282721
• Molecular Formula: C20H32N2O3
• Molecular Weight: 348.49 g/mol
• Exact Mass: 348.24
• IUPAC Name: 2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol
• SMILES: CCOc1cc2c(cc1CNCC1CCN(CCO)CC1)O[C@H](C)C2
• InChI: InChI=1S/C20H32N2O3/c1-3-24-19-11-17-10-15(2)25-20(17)12-18(19)14-21-13-16-4-6-22(7-5-16)8-9-23/h11-12,15-16,21,23H,3-10,13-14H2,1-2H3/t15-/m1/s1
• InChIKey: ZIMAVQAEYRCUEM-OAHLLOKOSA-N
• XLogP: 2.20
• TPSA: 53.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.49
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol?

The IUPAC name of 2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol (CID 95282721) is 2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol.

What is the SMILES notation for 2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol?

The canonical SMILES for 2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol is CCOc1cc2c(cc1CNCC1CCN(CCO)CC1)O[C@H](C)C2.

What is the InChIKey of 2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol?

The InChIKey is ZIMAVQAEYRCUEM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-3-24-19-11-17-10-15(2)25-20(17)12-18(19)14-21-13-16-4-6-22(7-5-16)8-9-23/h11-12,15-16,21,23H,3-10,13-14H2,1-2H3/t15-/m1/s1.

What are the key properties of 2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol?

2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol has a molecular weight of 348.49 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95282721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).