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

C12H16FNO — CID 117298905

IUPAC2-fluoro-5-methyl-3-piperidin-3-ylphenol
SMILESCc1cc(O)c(F)c(C2CCCNC2)c1
InChIInChI=1S/C12H16FNO/c1-8-5-10(12(13)11(15)6-8)9-3-2-4-14-7-9/h5-6,9,14-15H,2-4,7H2,1H3
InChIKeyXNABSOWZXJARET-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.31
Rot. Bonds1

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

2-fluoro-5-methyl-3-piperidin-3-ylphenol (PubChem CID 117298905) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-fluoro-5-methyl-3-piperidin-3-ylphenol.

Molecular Properties

Compound Name2-fluoro-5-methyl-3-piperidin-3-ylphenol
PubChem CID117298905
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-fluoro-5-methyl-3-piperidin-3-ylphenol
SMILESCc1cc(O)c(F)c(C2CCCNC2)c1
InChIInChI=1S/C12H16FNO/c1-8-5-10(12(13)11(15)6-8)9-3-2-4-14-7-9/h5-6,9,14-15H,2-4,7H2,1H3
InChIKeyXNABSOWZXJARET-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-4-ylphenol
CID 117299013
2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
CID 84790142
4,5-difluoro-2-piperidin-3-ylphenol
CID 84679573
2-fluoro-5-piperidin-3-ylbenzene-1,4-diol
CID 117301308
3-(2,3,4,5-tetrafluorophenyl)piperidine
CID 117116503
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 84680018
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
3-(2,3,5-trifluoro-4-methylsulfanylphenyl)piperidine
CID 117407297
2,4-difluoro-6-piperidin-3-ylphenol
CID 84782649
3-(2,4-dimethylphenyl)piperidine
CID 10535662
3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772855

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-3-piperidin-3-ylphenol?
The IUPAC name of 2-fluoro-5-methyl-3-piperidin-3-ylphenol (CID 117298905) is 2-fluoro-5-methyl-3-piperidin-3-ylphenol.
What is the SMILES notation for 2-fluoro-5-methyl-3-piperidin-3-ylphenol?
The canonical SMILES for 2-fluoro-5-methyl-3-piperidin-3-ylphenol is Cc1cc(O)c(F)c(C2CCCNC2)c1.
What is the InChIKey of 2-fluoro-5-methyl-3-piperidin-3-ylphenol?
The InChIKey is XNABSOWZXJARET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-5-10(12(13)11(15)6-8)9-3-2-4-14-7-9/h5-6,9,14-15H,2-4,7H2,1H3.
What are the key properties of 2-fluoro-5-methyl-3-piperidin-3-ylphenol?
2-fluoro-5-methyl-3-piperidin-3-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-3-ylphenol is sourced from PubChem (CID 117298905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).