3-fluoro-5-methoxy-4-piperidin-4-ylphenol

C12H16FNO2 — CID 84790128

IUPAC3-fluoro-5-methoxy-4-piperidin-4-ylphenol
SMILESCOc1cc(O)cc(F)c1C1CCNCC1
InChIInChI=1S/C12H16FNO2/c1-16-11-7-9(15)6-10(13)12(11)8-2-4-14-5-3-8/h6-8,14-15H,2-5H2,1H3
InChIKeyHQUFTDQUNQXUNW-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.01
Rot. Bonds2

About 3-fluoro-5-methoxy-4-piperidin-4-ylphenol

3-fluoro-5-methoxy-4-piperidin-4-ylphenol (PubChem CID 84790128) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-4-piperidin-4-ylphenol.

Molecular Properties

Compound Name3-fluoro-5-methoxy-4-piperidin-4-ylphenol
PubChem CID84790128
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-fluoro-5-methoxy-4-piperidin-4-ylphenol
SMILESCOc1cc(O)cc(F)c1C1CCNCC1
InChIInChI=1S/C12H16FNO2/c1-16-11-7-9(15)6-10(13)12(11)8-2-4-14-5-3-8/h6-8,14-15H,2-5H2,1H3
InChIKeyHQUFTDQUNQXUNW-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-piperidin-4-ylphenol
CID 84782646
3-fluoro-4-methoxy-2-piperidin-4-ylphenol
CID 84790129
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine
CID 84802229
3-chloro-4-cyclopropyl-5-methoxyphenol
CID 84668563
4-(2,4-dichloro-6-methoxyphenyl)piperidine
CID 156722732
3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117468431
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
4-(4-tert-butyl-2,6-difluorophenyl)piperidine
CID 121475944
3-bromo-5-fluoro-4-piperidin-4-ylbenzene-1,2-diol
CID 117468437
5-bromo-4-fluoro-2-methoxy-3-piperidin-4-ylphenol
CID 117489235
5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
CID 117489232

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-4-piperidin-4-ylphenol?
The IUPAC name of 3-fluoro-5-methoxy-4-piperidin-4-ylphenol (CID 84790128) is 3-fluoro-5-methoxy-4-piperidin-4-ylphenol.
What is the SMILES notation for 3-fluoro-5-methoxy-4-piperidin-4-ylphenol?
The canonical SMILES for 3-fluoro-5-methoxy-4-piperidin-4-ylphenol is COc1cc(O)cc(F)c1C1CCNCC1.
What is the InChIKey of 3-fluoro-5-methoxy-4-piperidin-4-ylphenol?
The InChIKey is HQUFTDQUNQXUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-16-11-7-9(15)6-10(13)12(11)8-2-4-14-5-3-8/h6-8,14-15H,2-5H2,1H3.
What are the key properties of 3-fluoro-5-methoxy-4-piperidin-4-ylphenol?
3-fluoro-5-methoxy-4-piperidin-4-ylphenol has a molecular weight of 225.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-4-piperidin-4-ylphenol is sourced from PubChem (CID 84790128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).