3-(4-methylpiperidin-4-yl)oxyphenol

C12H17NO2 — CID 115025182

IUPAC3-(4-methylpiperidin-4-yl)oxyphenol
SMILESCC1(Oc2cccc(O)c2)CCNCC1
InChIInChI=1S/C12H17NO2/c1-12(5-7-13-8-6-12)15-11-4-2-3-10(14)9-11/h2-4,9,13-14H,5-8H2,1H3
InChIKeyARVAICAKVRBNMB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.91
Rot. Bonds2

About 3-(4-methylpiperidin-4-yl)oxyphenol

3-(4-methylpiperidin-4-yl)oxyphenol (PubChem CID 115025182) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(4-methylpiperidin-4-yl)oxyphenol.

Molecular Properties

Compound Name3-(4-methylpiperidin-4-yl)oxyphenol
PubChem CID115025182
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(4-methylpiperidin-4-yl)oxyphenol
SMILESCC1(Oc2cccc(O)c2)CCNCC1
InChIInChI=1S/C12H17NO2/c1-12(5-7-13-8-6-12)15-11-4-2-3-10(14)9-11/h2-4,9,13-14H,5-8H2,1H3
InChIKeyARVAICAKVRBNMB-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-4-yl)oxyphenol?
The IUPAC name of 3-(4-methylpiperidin-4-yl)oxyphenol (CID 115025182) is 3-(4-methylpiperidin-4-yl)oxyphenol.
What is the SMILES notation for 3-(4-methylpiperidin-4-yl)oxyphenol?
The canonical SMILES for 3-(4-methylpiperidin-4-yl)oxyphenol is CC1(Oc2cccc(O)c2)CCNCC1.
What is the InChIKey of 3-(4-methylpiperidin-4-yl)oxyphenol?
The InChIKey is ARVAICAKVRBNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(5-7-13-8-6-12)15-11-4-2-3-10(14)9-11/h2-4,9,13-14H,5-8H2,1H3.
What are the key properties of 3-(4-methylpiperidin-4-yl)oxyphenol?
3-(4-methylpiperidin-4-yl)oxyphenol has a molecular weight of 207.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-4-yl)oxyphenol is sourced from PubChem (CID 115025182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).