2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol

C13H18FNO2 — CID 84799689

IUPAC2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
SMILESCOc1c(C2CCNCC2)cc(C)c(O)c1F
InChIInChI=1S/C13H18FNO2/c1-8-7-10(9-3-5-15-6-4-9)13(17-2)11(14)12(8)16/h7,9,15-16H,3-6H2,1-2H3
InChIKeyCFPHETKRQGYTLH-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.32
Rot. Bonds2

About 2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol

2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol (PubChem CID 84799689) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol.

Molecular Properties

Compound Name2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
PubChem CID84799689
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
SMILESCOc1c(C2CCNCC2)cc(C)c(O)c1F
InChIInChI=1S/C13H18FNO2/c1-8-7-10(9-3-5-15-6-4-9)13(17-2)11(14)12(8)16/h7,9,15-16H,3-6H2,1-2H3
InChIKeyCFPHETKRQGYTLH-UHFFFAOYSA-N
XLogP2.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
CID 117489228
2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
CID 84792614
4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol
CID 117465152
2,3,6-trimethyl-4-piperidin-4-ylphenol
CID 117116552
4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117382003
3-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)pyrrolidine
CID 117465146
2-fluoro-5-methyl-3-piperidin-4-ylphenol
CID 117299013
5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
CID 117489232
5-bromo-4-fluoro-2-methoxy-3-piperidin-4-ylphenol
CID 117489235
4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine
CID 117435548

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol?
The IUPAC name of 2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol (CID 84799689) is 2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol.
What is the SMILES notation for 2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol?
The canonical SMILES for 2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol is COc1c(C2CCNCC2)cc(C)c(O)c1F.
What is the InChIKey of 2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol?
The InChIKey is CFPHETKRQGYTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-8-7-10(9-3-5-15-6-4-9)13(17-2)11(14)12(8)16/h7,9,15-16H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol?
2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol has a molecular weight of 239.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol is sourced from PubChem (CID 84799689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).