1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride

C23H32Cl2N2O2 — CID 2919190

About 1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride

1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride (PubChem CID 2919190) has the molecular formula C23H32Cl2N2O2 and a molecular weight of 439.43 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride.

Molecular Properties

• Compound Name: 1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride
• PubChem CID: 2919190
• Molecular Formula: C23H32Cl2N2O2
• Molecular Weight: 439.43 g/mol
• Exact Mass: 438.18
• IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride
• SMILES: Cl.Cl.OC(COc1ccc2c(c1)CCC2)CN1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C23H30N2O2.2ClH/c26-22(18-27-23-10-9-20-7-4-8-21(20)15-23)17-25-13-11-24(12-14-25)16-19-5-2-1-3-6-19;;/h1-3,5-6,9-10,15,22,26H,4,7-8,11-14,16-18H2;2*1H
• InChIKey: MNQLHIKWMSBPBE-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.43
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride?

The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride (CID 2919190) is 1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride.

What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride?

The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride is Cl.Cl.OC(COc1ccc2c(c1)CCC2)CN1CCN(Cc2ccccc2)CC1.

What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride?

The InChIKey is MNQLHIKWMSBPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.2ClH/c26-22(18-27-23-10-9-20-7-4-8-21(20)15-23)17-25-13-11-24(12-14-25)16-19-5-2-1-3-6-19;;/h1-3,5-6,9-10,15,22,26H,4,7-8,11-14,16-18H2;2*1H.

What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride?

1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride has a molecular weight of 439.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride is sourced from PubChem (CID 2919190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).