zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate

C32H34N4O5Zn — CID 72700753

IUPACzinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Zn+2].c1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C28H28N4O.2C2H4O2.Zn/c1-6-16-32(17-7-1)18-19-33-24-12-10-22(11-13-24)23-20-27(25-8-2-4-14-29-25)31-28(21-23)26-9-3-5-15-30-26;2*1-2(3)4;/h2-5,8-15,20-21H,1,6-7,16-19H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyKJZOQFJWBXSWSY-UHFFFAOYSA-L
MW620.04 g/mol
LogP3.25
Rot. Bonds7

About zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate

zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate (PubChem CID 72700753) has the molecular formula C32H34N4O5Zn and a molecular weight of 620.04 g/mol. Its IUPAC name is zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate.

Molecular Properties

Compound Namezinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate
PubChem CID72700753
Molecular FormulaC32H34N4O5Zn
Molecular Weight620.04 g/mol
Exact Mass618.18
IUPAC Namezinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Zn+2].c1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C28H28N4O.2C2H4O2.Zn/c1-6-16-32(17-7-1)18-19-33-24-12-10-22(11-13-24)23-20-27(25-8-2-4-14-29-25)31-28(21-23)26-9-3-5-15-30-26;2*1-2(3)4;/h2-5,8-15,20-21H,1,6-7,16-19H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyKJZOQFJWBXSWSY-UHFFFAOYSA-L
XLogP3.25
TPSA131.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.04
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate?
The IUPAC name of zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate (CID 72700753) is zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate.
What is the SMILES notation for zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate?
The canonical SMILES for zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate is CC(=O)[O-].CC(=O)[O-].[Zn+2].c1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate?
The InChIKey is KJZOQFJWBXSWSY-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H28N4O.2C2H4O2.Zn/c1-6-16-32(17-7-1)18-19-33-24-12-10-22(11-13-24)23-20-27(25-8-2-4-14-29-25)31-28(21-23)26-9-3-5-15-30-26;2*1-2(3)4;/h2-5,8-15,20-21H,1,6-7,16-19H2;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate?
zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate has a molecular weight of 620.04 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine;diacetate is sourced from PubChem (CID 72700753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).