3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol

C23H36N4O — CID 133137990

About 3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol

3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol (PubChem CID 133137990) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol
• PubChem CID: 133137990
• Molecular Formula: C23H36N4O
• Molecular Weight: 384.57 g/mol
• Exact Mass: 384.29
• IUPAC Name: 3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol
• SMILES: CN1CCN([C@@H]2CCN(Cc3cc4ccccc4n3C)C[C@@H]2CCCO)CC1
• InChI: InChI=1S/C23H36N4O/c1-24-11-13-27(14-12-24)23-9-10-26(17-20(23)7-5-15-28)18-21-16-19-6-3-4-8-22(19)25(21)2/h3-4,6,8,16,20,23,28H,5,7,9-15,17-18H2,1-2H3/t20-,23+/m0/s1
• InChIKey: UYIOEDUSYLYSGT-NZQKXSOJSA-N
• XLogP: 2.39
• TPSA: 34.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.57
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol?

The IUPAC name of 3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol (CID 133137990) is 3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol.

What is the SMILES notation for 3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol?

The canonical SMILES for 3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol is CN1CCN([C@@H]2CCN(Cc3cc4ccccc4n3C)C[C@@H]2CCCO)CC1.

What is the InChIKey of 3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol?

The InChIKey is UYIOEDUSYLYSGT-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H36N4O/c1-24-11-13-27(14-12-24)23-9-10-26(17-20(23)7-5-15-28)18-21-16-19-6-3-4-8-22(19)25(21)2/h3-4,6,8,16,20,23,28H,5,7,9-15,17-18H2,1-2H3/t20-,23+/m0/s1.

What are the key properties of 3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol?

3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol has a molecular weight of 384.57 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S,4R)-1-[(1-methylindol-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 133137990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).