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

C28H28N4O — CID 72700752

IUPAC4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C28H28N4O/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/h2-5,8-15,20-21H,1,6-7,16-19H2
InChIKeyBOLQQQXIABPZEU-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.74
Rot. Bonds7

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

4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 72700752) has the molecular formula C28H28N4O and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID72700752
Molecular FormulaC28H28N4O
Molecular Weight436.56 g/mol
Exact Mass436.23
IUPAC Name4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C28H28N4O/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/h2-5,8-15,20-21H,1,6-7,16-19H2
InChIKeyBOLQQQXIABPZEU-UHFFFAOYSA-N
XLogP5.74
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine (CID 72700752) is 4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is BOLQQQXIABPZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O/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/h2-5,8-15,20-21H,1,6-7,16-19H2.
What are the key properties of 4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine?
4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 436.56 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 72700752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).