1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride

C18H23Cl4N3O2 — CID 2918767

About 1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride

1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride (PubChem CID 2918767) has the molecular formula C18H23Cl4N3O2 and a molecular weight of 455.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride.

Molecular Properties

• Compound Name: 1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride
• PubChem CID: 2918767
• Molecular Formula: C18H23Cl4N3O2
• Molecular Weight: 455.21 g/mol
• Exact Mass: 453.05
• IUPAC Name: 1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride
• SMILES: Cl.Cl.OC(COc1ccc(Cl)cc1Cl)CN1CCN(c2ccccn2)CC1
• InChI: InChI=1S/C18H21Cl2N3O2.2ClH/c19-14-4-5-17(16(20)11-14)25-13-15(24)12-22-7-9-23(10-8-22)18-3-1-2-6-21-18;;/h1-6,11,15,24H,7-10,12-13H2;2*1H
• InChIKey: PWEVQDVTNPIKMX-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 48.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.21
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride?

The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride (CID 2918767) is 1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride.

What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride?

The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride is Cl.Cl.OC(COc1ccc(Cl)cc1Cl)CN1CCN(c2ccccn2)CC1.

What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride?

The InChIKey is PWEVQDVTNPIKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2.2ClH/c19-14-4-5-17(16(20)11-14)25-13-15(24)12-22-7-9-23(10-8-22)18-3-1-2-6-21-18;;/h1-6,11,15,24H,7-10,12-13H2;2*1H.

What are the key properties of 1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride?

1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride has a molecular weight of 455.21 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 2918767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).