4-(4-pyrazin-2-ylpiperazin-2-yl)phenol

C14H16N4O — CID 146104930

IUPAC4-(4-pyrazin-2-ylpiperazin-2-yl)phenol
SMILESOc1ccc(C2CN(c3cnccn3)CCN2)cc1
InChIInChI=1S/C14H16N4O/c19-12-3-1-11(2-4-12)13-10-18(8-7-16-13)14-9-15-5-6-17-14/h1-6,9,13,16,19H,7-8,10H2
InChIKeyWXOQOVIJSNAFKX-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.33
Rot. Bonds2

About 4-(4-pyrazin-2-ylpiperazin-2-yl)phenol

4-(4-pyrazin-2-ylpiperazin-2-yl)phenol (PubChem CID 146104930) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(4-pyrazin-2-ylpiperazin-2-yl)phenol.

Molecular Properties

Compound Name4-(4-pyrazin-2-ylpiperazin-2-yl)phenol
PubChem CID146104930
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-(4-pyrazin-2-ylpiperazin-2-yl)phenol
SMILESOc1ccc(C2CN(c3cnccn3)CCN2)cc1
InChIInChI=1S/C14H16N4O/c19-12-3-1-11(2-4-12)13-10-18(8-7-16-13)14-9-15-5-6-17-14/h1-6,9,13,16,19H,7-8,10H2
InChIKeyWXOQOVIJSNAFKX-UHFFFAOYSA-N
XLogP1.33
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazin-2-ylpiperazin-2-yl)phenol?
The IUPAC name of 4-(4-pyrazin-2-ylpiperazin-2-yl)phenol (CID 146104930) is 4-(4-pyrazin-2-ylpiperazin-2-yl)phenol.
What is the SMILES notation for 4-(4-pyrazin-2-ylpiperazin-2-yl)phenol?
The canonical SMILES for 4-(4-pyrazin-2-ylpiperazin-2-yl)phenol is Oc1ccc(C2CN(c3cnccn3)CCN2)cc1.
What is the InChIKey of 4-(4-pyrazin-2-ylpiperazin-2-yl)phenol?
The InChIKey is WXOQOVIJSNAFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-12-3-1-11(2-4-12)13-10-18(8-7-16-13)14-9-15-5-6-17-14/h1-6,9,13,16,19H,7-8,10H2.
What are the key properties of 4-(4-pyrazin-2-ylpiperazin-2-yl)phenol?
4-(4-pyrazin-2-ylpiperazin-2-yl)phenol has a molecular weight of 256.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazin-2-ylpiperazin-2-yl)phenol is sourced from PubChem (CID 146104930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).