3-fluoro-4-methoxy-2-piperidin-4-ylphenol

C12H16FNO2 — CID 84790129

IUPAC3-fluoro-4-methoxy-2-piperidin-4-ylphenol
SMILESCOc1ccc(O)c(C2CCNCC2)c1F
InChIInChI=1S/C12H16FNO2/c1-16-10-3-2-9(15)11(12(10)13)8-4-6-14-7-5-8/h2-3,8,14-15H,4-7H2,1H3
InChIKeyPJOUDYZSBXOPTE-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.01
Rot. Bonds2

About 3-fluoro-4-methoxy-2-piperidin-4-ylphenol

3-fluoro-4-methoxy-2-piperidin-4-ylphenol (PubChem CID 84790129) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-2-piperidin-4-ylphenol.

Molecular Properties

Compound Name3-fluoro-4-methoxy-2-piperidin-4-ylphenol
PubChem CID84790129
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-fluoro-4-methoxy-2-piperidin-4-ylphenol
SMILESCOc1ccc(O)c(C2CCNCC2)c1F
InChIInChI=1S/C12H16FNO2/c1-16-10-3-2-9(15)11(12(10)13)8-4-6-14-7-5-8/h2-3,8,14-15H,4-7H2,1H3
InChIKeyPJOUDYZSBXOPTE-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

4-fluoro-3-methyl-2-piperidin-4-ylphenol
CID 84676985
4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine
CID 84802229
3-fluoro-5-methoxy-4-piperidin-4-ylphenol
CID 84790128
5-bromo-4-fluoro-2-methoxy-3-piperidin-4-ylphenol
CID 117489235
5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
CID 117489232
4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol
CID 84710037
4-[3,6-dimethoxy-2-(methoxymethyl)phenyl]piperidine
CID 117417648
4-(2-methoxyphenyl)piperidine
CID 544738
4-bromo-3-methyl-2-piperidin-4-ylphenol
CID 84712688
methyl 4-methoxy-3-piperidin-4-ylbenzoate
CID 139793069
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422234

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-2-piperidin-4-ylphenol?
The IUPAC name of 3-fluoro-4-methoxy-2-piperidin-4-ylphenol (CID 84790129) is 3-fluoro-4-methoxy-2-piperidin-4-ylphenol.
What is the SMILES notation for 3-fluoro-4-methoxy-2-piperidin-4-ylphenol?
The canonical SMILES for 3-fluoro-4-methoxy-2-piperidin-4-ylphenol is COc1ccc(O)c(C2CCNCC2)c1F.
What is the InChIKey of 3-fluoro-4-methoxy-2-piperidin-4-ylphenol?
The InChIKey is PJOUDYZSBXOPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-16-10-3-2-9(15)11(12(10)13)8-4-6-14-7-5-8/h2-3,8,14-15H,4-7H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-2-piperidin-4-ylphenol?
3-fluoro-4-methoxy-2-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-4-methoxy-2-piperidin-4-ylphenol is sourced from PubChem (CID 84790129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).