3-piperidin-3-ylphenol

C11H15NO — CID 12937950

IUPAC3-piperidin-3-ylphenol
SMILESOc1cccc(C2CCCNC2)c1
InChIInChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3,5,7,10,12-13H,2,4,6,8H2
InChIKeyHYUOAVGLJXTEGX-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.86
Rot. Bonds1

About 3-piperidin-3-ylphenol

3-piperidin-3-ylphenol (PubChem CID 12937950) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-piperidin-3-ylphenol.

Molecular Properties

Compound Name3-piperidin-3-ylphenol
PubChem CID12937950
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-piperidin-3-ylphenol
SMILESOc1cccc(C2CCCNC2)c1
InChIInChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3,5,7,10,12-13H,2,4,6,8H2
InChIKeyHYUOAVGLJXTEGX-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-ylphenol?
The IUPAC name of 3-piperidin-3-ylphenol (CID 12937950) is 3-piperidin-3-ylphenol.
What is the SMILES notation for 3-piperidin-3-ylphenol?
The canonical SMILES for 3-piperidin-3-ylphenol is Oc1cccc(C2CCCNC2)c1.
What is the InChIKey of 3-piperidin-3-ylphenol?
The InChIKey is HYUOAVGLJXTEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3,5,7,10,12-13H,2,4,6,8H2.
What are the key properties of 3-piperidin-3-ylphenol?
3-piperidin-3-ylphenol has a molecular weight of 177.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-ylphenol is sourced from PubChem (CID 12937950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).