1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride

C31H38ClN3O2 — CID 18558845

About 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride

1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride (PubChem CID 18558845) has the molecular formula C31H38ClN3O2 and a molecular weight of 520.12 g/mol. Its IUPAC name is 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

• Compound Name: 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
• PubChem CID: 18558845
• Molecular Formula: C31H38ClN3O2
• Molecular Weight: 520.12 g/mol
• Exact Mass: 519.27
• IUPAC Name: 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
• SMILES: Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CN1CCN(CCO)CC1.Cl
• InChI: InChI=1S/C31H37N3O2.ClH/c1-23-19-24(2)30-28(20-23)29(25-9-5-3-6-10-25)31(26-11-7-4-8-12-26)34(30)22-27(36)21-33-15-13-32(14-16-33)17-18-35;/h3-12,19-20,27,35-36H,13-18,21-22H2,1-2H3;1H
• InChIKey: LLUWNBLIIZTXEJ-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 51.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.12
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride?

The IUPAC name of 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride (CID 18558845) is 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride.

What is the SMILES notation for 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride?

The canonical SMILES for 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride is Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CN1CCN(CCO)CC1.Cl.

What is the InChIKey of 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride?

The InChIKey is LLUWNBLIIZTXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O2.ClH/c1-23-19-24(2)30-28(20-23)29(25-9-5-3-6-10-25)31(26-11-7-4-8-12-26)34(30)22-27(36)21-33-15-13-32(14-16-33)17-18-35;/h3-12,19-20,27,35-36H,13-18,21-22H2,1-2H3;1H.

What are the key properties of 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride?

1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride has a molecular weight of 520.12 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 18558845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).