1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride

C17H28Cl2N2O4 — CID 2867651

About 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride (PubChem CID 2867651) has the molecular formula C17H28Cl2N2O4 and a molecular weight of 395.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
• PubChem CID: 2867651
• Molecular Formula: C17H28Cl2N2O4
• Molecular Weight: 395.33 g/mol
• Exact Mass: 394.14
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
• SMILES: CN1CCN(CC(O)COCC2COc3ccccc3O2)CC1.Cl.Cl
• InChI: InChI=1S/C17H26N2O4.2ClH/c1-18-6-8-19(9-7-18)10-14(20)11-21-12-15-13-22-16-4-2-3-5-17(16)23-15;;/h2-5,14-15,20H,6-13H2,1H3;2*1H
• InChIKey: SACKMSGSNSKQCB-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 54.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.33
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride (CID 2867651) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride is CN1CCN(CC(O)COCC2COc3ccccc3O2)CC1.Cl.Cl.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?

The InChIKey is SACKMSGSNSKQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.2ClH/c1-18-6-8-19(9-7-18)10-14(20)11-21-12-15-13-22-16-4-2-3-5-17(16)23-15;;/h2-5,14-15,20H,6-13H2,1H3;2*1H.

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride has a molecular weight of 395.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 2867651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).