4-piperazin-2-ylphenol

C10H14N2O — CID 16740778

IUPAC4-piperazin-2-ylphenol
SMILESOc1ccc(C2CNCCN2)cc1
InChIInChI=1S/C10H14N2O/c13-9-3-1-8(2-4-9)10-7-11-5-6-12-10/h1-4,10-13H,5-7H2
InChIKeySASIFHOHGBPKMK-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.63
Rot. Bonds1

About 4-piperazin-2-ylphenol

4-piperazin-2-ylphenol (PubChem CID 16740778) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-piperazin-2-ylphenol.

Molecular Properties

Compound Name4-piperazin-2-ylphenol
PubChem CID16740778
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-piperazin-2-ylphenol
SMILESOc1ccc(C2CNCCN2)cc1
InChIInChI=1S/C10H14N2O/c13-9-3-1-8(2-4-9)10-7-11-5-6-12-10/h1-4,10-13H,5-7H2
InChIKeySASIFHOHGBPKMK-UHFFFAOYSA-N
XLogP0.63
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-2-ylphenol?
The IUPAC name of 4-piperazin-2-ylphenol (CID 16740778) is 4-piperazin-2-ylphenol.
What is the SMILES notation for 4-piperazin-2-ylphenol?
The canonical SMILES for 4-piperazin-2-ylphenol is Oc1ccc(C2CNCCN2)cc1.
What is the InChIKey of 4-piperazin-2-ylphenol?
The InChIKey is SASIFHOHGBPKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-9-3-1-8(2-4-9)10-7-11-5-6-12-10/h1-4,10-13H,5-7H2.
What are the key properties of 4-piperazin-2-ylphenol?
4-piperazin-2-ylphenol has a molecular weight of 178.24 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-2-ylphenol is sourced from PubChem (CID 16740778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).