1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol

C27H37N3O2 — CID 142203854

About 1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol

1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol (PubChem CID 142203854) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol.

Molecular Properties

• Compound Name: 1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol
• PubChem CID: 142203854
• Molecular Formula: C27H37N3O2
• Molecular Weight: 435.61 g/mol
• Exact Mass: 435.29
• IUPAC Name: 1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol
• SMILES: COc1cccc2c(CCCN3CCC(c4cccc(NC(O)C(C)C)c4)CC3)c[nH]c12
• InChI: InChI=1S/C27H37N3O2/c1-19(2)27(31)29-23-9-4-7-21(17-23)20-12-15-30(16-13-20)14-6-8-22-18-28-26-24(22)10-5-11-25(26)32-3/h4-5,7,9-11,17-20,27-29,31H,6,8,12-16H2,1-3H3
• InChIKey: WTYBFHMWFUIFEM-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 60.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.61
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol?

The IUPAC name of 1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol (CID 142203854) is 1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol.

What is the SMILES notation for 1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol?

The canonical SMILES for 1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol is COc1cccc2c(CCCN3CCC(c4cccc(NC(O)C(C)C)c4)CC3)c[nH]c12.

What is the InChIKey of 1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol?

The InChIKey is WTYBFHMWFUIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-19(2)27(31)29-23-9-4-7-21(17-23)20-12-15-30(16-13-20)14-6-8-22-18-28-26-24(22)10-5-11-25(26)32-3/h4-5,7,9-11,17-20,27-29,31H,6,8,12-16H2,1-3H3.

What are the key properties of 1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol?

1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol has a molecular weight of 435.61 g/mol, XLogP of 5.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-[3-(7-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol is sourced from PubChem (CID 142203854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).