4-methylphenol;piperazine

C11H18N2O — CID 71330190

IUPAC4-methylphenol;piperazine
SMILESC1CNCCN1.Cc1ccc(O)cc1
InChIInChI=1S/C7H8O.C4H10N2/c1-6-2-4-7(8)5-3-6;1-2-6-4-3-5-1/h2-5,8H,1H3;5-6H,1-4H2
InChIKeyWZHOJHMMEFBAMB-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.88
Rot. Bonds

About 4-methylphenol;piperazine

4-methylphenol;piperazine (PubChem CID 71330190) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methylphenol;piperazine.

Molecular Properties

Compound Name4-methylphenol;piperazine
PubChem CID71330190
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-methylphenol;piperazine
SMILESC1CNCCN1.Cc1ccc(O)cc1
InChIInChI=1S/C7H8O.C4H10N2/c1-6-2-4-7(8)5-3-6;1-2-6-4-3-5-1/h2-5,8H,1H3;5-6H,1-4H2
InChIKeyWZHOJHMMEFBAMB-UHFFFAOYSA-N
XLogP0.88
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylphenol;piperazine?
The IUPAC name of 4-methylphenol;piperazine (CID 71330190) is 4-methylphenol;piperazine.
What is the SMILES notation for 4-methylphenol;piperazine?
The canonical SMILES for 4-methylphenol;piperazine is C1CNCCN1.Cc1ccc(O)cc1.
What is the InChIKey of 4-methylphenol;piperazine?
The InChIKey is WZHOJHMMEFBAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C4H10N2/c1-6-2-4-7(8)5-3-6;1-2-6-4-3-5-1/h2-5,8H,1H3;5-6H,1-4H2.
What are the key properties of 4-methylphenol;piperazine?
4-methylphenol;piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.88, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphenol;piperazine is sourced from PubChem (CID 71330190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).