4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol

C34H40N4O6 — CID 135855964

About 4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol

4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol (PubChem CID 135855964) has the molecular formula C34H40N4O6 and a molecular weight of 600.72 g/mol. Its IUPAC name is 4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol.

Molecular Properties

• Compound Name: 4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol
• PubChem CID: 135855964
• Molecular Formula: C34H40N4O6
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.29
• IUPAC Name: 4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol
• SMILES: COc1cc(-c2cc(CN3CCC(N(C)Cc4ccnc(-c5cc(OC)c(O)c(OC)c5)c4)CC3)ccn2)cc(OC)c1O
• InChI: InChI=1S/C34H40N4O6/c1-37(20-22-6-10-35-27(14-22)24-16-29(41-2)33(39)30(17-24)42-3)26-8-12-38(13-9-26)21-23-7-11-36-28(15-23)25-18-31(43-4)34(40)32(19-25)44-5/h6-7,10-11,14-19,26,39-40H,8-9,12-13,20-21H2,1-5H3
• InChIKey: LUEDKDYZYJNFDK-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 109.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol?

The IUPAC name of 4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol (CID 135855964) is 4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol.

What is the SMILES notation for 4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol?

The canonical SMILES for 4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol is COc1cc(-c2cc(CN3CCC(N(C)Cc4ccnc(-c5cc(OC)c(O)c(OC)c5)c4)CC3)ccn2)cc(OC)c1O.

What is the InChIKey of 4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol?

The InChIKey is LUEDKDYZYJNFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O6/c1-37(20-22-6-10-35-27(14-22)24-16-29(41-2)33(39)30(17-24)42-3)26-8-12-38(13-9-26)21-23-7-11-36-28(15-23)25-18-31(43-4)34(40)32(19-25)44-5/h6-7,10-11,14-19,26,39-40H,8-9,12-13,20-21H2,1-5H3.

What are the key properties of 4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol?

4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol has a molecular weight of 600.72 g/mol, XLogP of 5.35, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[4-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridinyl]methyl-methylamino]piperidin-1-yl]methyl]-2-pyridinyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135855964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).