2-fluoro-5-methyl-3-piperidin-4-ylphenol

C12H16FNO — CID 117299013

IUPAC2-fluoro-5-methyl-3-piperidin-4-ylphenol
SMILESCc1cc(O)c(F)c(C2CCNCC2)c1
InChIInChI=1S/C12H16FNO/c1-8-6-10(12(13)11(15)7-8)9-2-4-14-5-3-9/h6-7,9,14-15H,2-5H2,1H3
InChIKeyLVCRRHXOKNRHBD-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.31
Rot. Bonds1

About 2-fluoro-5-methyl-3-piperidin-4-ylphenol

2-fluoro-5-methyl-3-piperidin-4-ylphenol (PubChem CID 117299013) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-fluoro-5-methyl-3-piperidin-4-ylphenol.

Molecular Properties

Compound Name2-fluoro-5-methyl-3-piperidin-4-ylphenol
PubChem CID117299013
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-fluoro-5-methyl-3-piperidin-4-ylphenol
SMILESCc1cc(O)c(F)c(C2CCNCC2)c1
InChIInChI=1S/C12H16FNO/c1-8-6-10(12(13)11(15)7-8)9-2-4-14-5-3-9/h6-7,9,14-15H,2-5H2,1H3
InChIKeyLVCRRHXOKNRHBD-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-methyl-3-piperidin-3-ylphenol
CID 117298905
2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol
CID 117465152
4-(2,3,5-trimethylphenyl)piperidine
CID 117292122
3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 84680018
3,4-dimethyl-5-piperidin-4-ylbenzene-1,2-diol
CID 117316359
2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
CID 84799689
2-ethyl-5-methyl-4-piperidin-4-ylphenol
CID 117313060
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772855
2-chloro-4-methyl-5-piperidin-4-ylphenol
CID 84790670
3-chloro-2-fluoro-5-piperidin-4-ylphenol
CID 84793263
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-3-piperidin-4-ylphenol?
The IUPAC name of 2-fluoro-5-methyl-3-piperidin-4-ylphenol (CID 117299013) is 2-fluoro-5-methyl-3-piperidin-4-ylphenol.
What is the SMILES notation for 2-fluoro-5-methyl-3-piperidin-4-ylphenol?
The canonical SMILES for 2-fluoro-5-methyl-3-piperidin-4-ylphenol is Cc1cc(O)c(F)c(C2CCNCC2)c1.
What is the InChIKey of 2-fluoro-5-methyl-3-piperidin-4-ylphenol?
The InChIKey is LVCRRHXOKNRHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-6-10(12(13)11(15)7-8)9-2-4-14-5-3-9/h6-7,9,14-15H,2-5H2,1H3.
What are the key properties of 2-fluoro-5-methyl-3-piperidin-4-ylphenol?
2-fluoro-5-methyl-3-piperidin-4-ylphenol has a molecular weight of 209.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-3-piperidin-4-ylphenol is sourced from PubChem (CID 117299013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).