1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride

C33H36ClN3O2 — CID 163330941

About 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride

1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride (PubChem CID 163330941) has the molecular formula C33H36ClN3O2 and a molecular weight of 542.12 g/mol. Its IUPAC name is 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

• Compound Name: 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
• PubChem CID: 163330941
• Molecular Formula: C33H36ClN3O2
• Molecular Weight: 542.12 g/mol
• Exact Mass: 541.25
• IUPAC Name: 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
• SMILES: Cl.OCCN1CCN(CC(O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1
• InChI: InChI=1S/C33H35N3O2.ClH/c37-22-21-34-17-19-35(20-18-34)23-28(38)24-36-32(27-12-5-2-6-13-27)31(26-10-3-1-4-11-26)30-16-15-25-9-7-8-14-29(25)33(30)36;/h1-16,28,37-38H,17-24H2;1H
• InChIKey: KRARNBGNGXNUDS-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 51.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.12
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride?

The IUPAC name of 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride (CID 163330941) is 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride.

What is the SMILES notation for 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride?

The canonical SMILES for 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride is Cl.OCCN1CCN(CC(O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1.

What is the InChIKey of 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride?

The InChIKey is KRARNBGNGXNUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O2.ClH/c37-22-21-34-17-19-35(20-18-34)23-28(38)24-36-32(27-12-5-2-6-13-27)31(26-10-3-1-4-11-26)30-16-15-25-9-7-8-14-29(25)33(30)36;/h1-16,28,37-38H,17-24H2;1H.

What are the key properties of 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride?

1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride has a molecular weight of 542.12 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 163330941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).