4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol

C22H32N3O6P — CID 10389753

IUPAC4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol
SMILESCCOP(=O)(OCC)C(c1cc(OC)c(O)c(OC)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H32N3O6P/c1-5-30-32(27,31-6-2)22(17-15-18(28-3)21(26)19(16-17)29-4)25-13-11-24(12-14-25)20-9-7-8-10-23-20/h7-10,15-16,22,26H,5-6,11-14H2,1-4H3
InChIKeyNOLVIZUKJFMBTQ-UHFFFAOYSA-N
MW465.49 g/mol
LogP3.89
Rot. Bonds10

About 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol

4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol (PubChem CID 10389753) has the molecular formula C22H32N3O6P and a molecular weight of 465.49 g/mol. Its IUPAC name is 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol
PubChem CID10389753
Molecular FormulaC22H32N3O6P
Molecular Weight465.49 g/mol
Exact Mass465.20
IUPAC Name4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol
SMILESCCOP(=O)(OCC)C(c1cc(OC)c(O)c(OC)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H32N3O6P/c1-5-30-32(27,31-6-2)22(17-15-18(28-3)21(26)19(16-17)29-4)25-13-11-24(12-14-25)20-9-7-8-10-23-20/h7-10,15-16,22,26H,5-6,11-14H2,1-4H3
InChIKeyNOLVIZUKJFMBTQ-UHFFFAOYSA-N
XLogP3.89
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
CID 103224487
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
4-[diethoxyphosphoryl-(pyridin-3-ylmethylamino)methyl]-2,6-dimethoxyphenol
CID 15463407
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607
1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767938
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54692667
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54739630
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446137
N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17447434

Frequently Asked Questions

What is the IUPAC name of 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol (CID 10389753) is 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol is CCOP(=O)(OCC)C(c1cc(OC)c(O)c(OC)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol?
The InChIKey is NOLVIZUKJFMBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N3O6P/c1-5-30-32(27,31-6-2)22(17-15-18(28-3)21(26)19(16-17)29-4)25-13-11-24(12-14-25)20-9-7-8-10-23-20/h7-10,15-16,22,26H,5-6,11-14H2,1-4H3.
What are the key properties of 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol?
4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol has a molecular weight of 465.49 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 10389753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).