2-(hydroxymethyl)-5-piperazin-1-ylphenol

C11H16N2O2 — CID 84780243

IUPAC2-(hydroxymethyl)-5-piperazin-1-ylphenol
SMILESOCc1ccc(N2CCNCC2)cc1O
InChIInChI=1S/C11H16N2O2/c14-8-9-1-2-10(7-11(9)15)13-5-3-12-4-6-13/h1-2,7,12,14-15H,3-6,8H2
InChIKeyXSSFKLKCVWXWOA-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.29
Rot. Bonds2

About 2-(hydroxymethyl)-5-piperazin-1-ylphenol

2-(hydroxymethyl)-5-piperazin-1-ylphenol (PubChem CID 84780243) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-piperazin-1-ylphenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-piperazin-1-ylphenol
PubChem CID84780243
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(hydroxymethyl)-5-piperazin-1-ylphenol
SMILESOCc1ccc(N2CCNCC2)cc1O
InChIInChI=1S/C11H16N2O2/c14-8-9-1-2-10(7-11(9)15)13-5-3-12-4-6-13/h1-2,7,12,14-15H,3-6,8H2
InChIKeyXSSFKLKCVWXWOA-UHFFFAOYSA-N
XLogP0.29
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-piperazin-1-ylphenol?
The IUPAC name of 2-(hydroxymethyl)-5-piperazin-1-ylphenol (CID 84780243) is 2-(hydroxymethyl)-5-piperazin-1-ylphenol.
What is the SMILES notation for 2-(hydroxymethyl)-5-piperazin-1-ylphenol?
The canonical SMILES for 2-(hydroxymethyl)-5-piperazin-1-ylphenol is OCc1ccc(N2CCNCC2)cc1O.
What is the InChIKey of 2-(hydroxymethyl)-5-piperazin-1-ylphenol?
The InChIKey is XSSFKLKCVWXWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-8-9-1-2-10(7-11(9)15)13-5-3-12-4-6-13/h1-2,7,12,14-15H,3-6,8H2.
What are the key properties of 2-(hydroxymethyl)-5-piperazin-1-ylphenol?
2-(hydroxymethyl)-5-piperazin-1-ylphenol has a molecular weight of 208.26 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-piperazin-1-ylphenol is sourced from PubChem (CID 84780243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).