4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol

C20H20N4O — CID 144764971

IUPAC4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2cccc(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C20H20N4O/c25-17-9-7-16(8-10-17)18-4-3-6-20(22-18)24-14-12-23(13-15-24)19-5-1-2-11-21-19/h1-11,25H,12-15H2
InChIKeyGGVYNBINVNQJAN-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.18
Rot. Bonds3

About 4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol

4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol (PubChem CID 144764971) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol
PubChem CID144764971
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2cccc(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C20H20N4O/c25-17-9-7-16(8-10-17)18-4-3-6-20(22-18)24-14-12-23(13-15-24)19-5-1-2-11-21-19/h1-11,25H,12-15H2
InChIKeyGGVYNBINVNQJAN-UHFFFAOYSA-N
XLogP3.18
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol?
The IUPAC name of 4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol (CID 144764971) is 4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol.
What is the SMILES notation for 4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol?
The canonical SMILES for 4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol is Oc1ccc(-c2cccc(N3CCN(c4ccccn4)CC3)n2)cc1.
What is the InChIKey of 4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol?
The InChIKey is GGVYNBINVNQJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-17-9-7-16(8-10-17)18-4-3-6-20(22-18)24-14-12-23(13-15-24)19-5-1-2-11-21-19/h1-11,25H,12-15H2.
What are the key properties of 4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol?
4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol has a molecular weight of 332.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]phenol is sourced from PubChem (CID 144764971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).