2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone

C20H30N2O5 — CID 154820709

About 2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone

2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone (PubChem CID 154820709) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone
• PubChem CID: 154820709
• Molecular Formula: C20H30N2O5
• Molecular Weight: 378.47 g/mol
• Exact Mass: 378.22
• IUPAC Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone
• SMILES: COCCN(C)CC(O)C1CCN(C(=O)c2cccc3c2OCCO3)CC1
• InChI: InChI=1S/C20H30N2O5/c1-21(10-11-25-2)14-17(23)15-6-8-22(9-7-15)20(24)16-4-3-5-18-19(16)27-13-12-26-18/h3-5,15,17,23H,6-14H2,1-2H3
• InChIKey: KOFDSDJCWMLOFL-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 71.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.47
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone?

The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone (CID 154820709) is 2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone.

What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone?

The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone is COCCN(C)CC(O)C1CCN(C(=O)c2cccc3c2OCCO3)CC1.

What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone?

The InChIKey is KOFDSDJCWMLOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-21(10-11-25-2)14-17(23)15-6-8-22(9-7-15)20(24)16-4-3-5-18-19(16)27-13-12-26-18/h3-5,15,17,23H,6-14H2,1-2H3.

What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone?

2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone has a molecular weight of 378.47 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1,4-benzodioxin-5-yl-[4-[1-hydroxy-2-[2-methoxyethyl(methyl)amino]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 154820709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).