1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid

C₂₃H₃₄N₈O₃ — CID 155415195

About 1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid

1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid (PubChem CID 155415195) has the molecular formula C₂₃H₃₄N₈O₃ and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid
• PubChem CID: 155415195
• Molecular Formula: C₂₃H₃₄N₈O₃
• Molecular Weight: 470.58 g/mol
• Exact Mass: 470.28
• IUPAC Name: 1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid
• SMILES: CCOc1ccccc1N1CCN(c2nc(NCCN)nc(N3CCC(C(=O)O)CC3)n2)CC1
• InChI: InChI=1S/C23H34N8O3/c1-2-34-19-6-4-3-5-18(19)29-13-15-31(16-14-29)23-27-21(25-10-9-24)26-22(28-23)30-11-7-17(8-12-30)20(32)33/h3-6,17H,2,7-16,24H2,1H3,(H,32,33)(H,25,26,27,28)
• InChIKey: YQLKXKUDNBNGKJ-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 132.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.58
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid?

The IUPAC name of 1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid (CID 155415195) is 1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid.

What is the SMILES notation for 1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid?

The canonical SMILES for 1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid is CCOc1ccccc1N1CCN(c2nc(NCCN)nc(N3CCC(C(=O)O)CC3)n2)CC1.

What is the InChIKey of 1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid?

The InChIKey is YQLKXKUDNBNGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N8O3/c1-2-34-19-6-4-3-5-18(19)29-13-15-31(16-14-29)23-27-21(25-10-9-24)26-22(28-23)30-11-7-17(8-12-30)20(32)33/h3-6,17H,2,7-16,24H2,1H3,(H,32,33)(H,25,26,27,28).

What are the key properties of 1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid?

1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 470.58 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 155415195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155415195 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.