1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol

C26H27Br2N3O — CID 21234903

About 1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol

1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 21234903) has the molecular formula C26H27Br2N3O and a molecular weight of 557.33 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
• PubChem CID: 21234903
• Molecular Formula: C26H27Br2N3O
• Molecular Weight: 557.33 g/mol
• Exact Mass: 555.05
• IUPAC Name: 1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
• SMILES: Cc1ccc(N2CCN(CC(O)Cn3c4ccc(Br)cc4c4cc(Br)ccc43)CC2)cc1
• InChI: InChI=1S/C26H27Br2N3O/c1-18-2-6-21(7-3-18)30-12-10-29(11-13-30)16-22(32)17-31-25-8-4-19(27)14-23(25)24-15-20(28)5-9-26(24)31/h2-9,14-15,22,32H,10-13,16-17H2,1H3
• InChIKey: UNSLLAHCOQRCMB-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 31.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.33
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?

The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol (CID 21234903) is 1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol.

What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?

The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol is Cc1ccc(N2CCN(CC(O)Cn3c4ccc(Br)cc4c4cc(Br)ccc43)CC2)cc1.

What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?

The InChIKey is UNSLLAHCOQRCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Br2N3O/c1-18-2-6-21(7-3-18)30-12-10-29(11-13-30)16-22(32)17-31-25-8-4-19(27)14-23(25)24-15-20(28)5-9-26(24)31/h2-9,14-15,22,32H,10-13,16-17H2,1H3.

What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?

1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 557.33 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 21234903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).