5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride

C32H43ClN4O2 — CID 157226928

About 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride

5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride (PubChem CID 157226928) has the molecular formula C32H43ClN4O2 and a molecular weight of 551.18 g/mol. Its IUPAC name is 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride.

Molecular Properties

• Compound Name: 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride
• PubChem CID: 157226928
• Molecular Formula: C32H43ClN4O2
• Molecular Weight: 551.18 g/mol
• Exact Mass: 550.31
• IUPAC Name: 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride
• SMILES: COc1ccc2[nH]c(C)c(C3=CCN(C)CC3)c2c1.COc1ccc2[nH]c(C)c(C3CCN(C)CC3)c2c1.Cl
• InChI: InChI=1S/C16H22N2O.C16H20N2O.ClH/c2*1-11-16(12-6-8-18(2)9-7-12)14-10-13(19-3)4-5-15(14)17-11;/h4-5,10,12,17H,6-9H2,1-3H3;4-6,10,17H,7-9H2,1-3H3;1H
• InChIKey: ATQMNHIHTXFMGY-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 56.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.18
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride?

The IUPAC name of 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride (CID 157226928) is 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride.

What is the SMILES notation for 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride?

The canonical SMILES for 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride is COc1ccc2[nH]c(C)c(C3=CCN(C)CC3)c2c1.COc1ccc2[nH]c(C)c(C3CCN(C)CC3)c2c1.Cl.

What is the InChIKey of 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride?

The InChIKey is ATQMNHIHTXFMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.C16H20N2O.ClH/c2*1-11-16(12-6-8-18(2)9-7-12)14-10-13(19-3)4-5-15(14)17-11;/h4-5,10,12,17H,6-9H2,1-3H3;4-6,10,17H,7-9H2,1-3H3;1H.

What are the key properties of 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride?

5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride has a molecular weight of 551.18 g/mol, XLogP of 6.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-methoxy-2-methyl-3-(1-methylpiperidin-4-yl)-1H-indole;hydrochloride is sourced from PubChem (CID 157226928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).