2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol

C12H16FNO2 — CID 84790142

IUPAC2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
SMILESCc1cc(C2CCCNC2)c(O)c(F)c1O
InChIInChI=1S/C12H16FNO2/c1-7-5-9(8-3-2-4-14-6-8)12(16)10(13)11(7)15/h5,8,14-16H,2-4,6H2,1H3
InChIKeyULLVESVQINIMBJ-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.01
Rot. Bonds1

About 2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol

2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol (PubChem CID 84790142) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol.

Molecular Properties

Compound Name2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
PubChem CID84790142
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
SMILESCc1cc(C2CCCNC2)c(O)c(F)c1O
InChIInChI=1S/C12H16FNO2/c1-7-5-9(8-3-2-4-14-6-8)12(16)10(13)11(7)15/h5,8,14-16H,2-4,6H2,1H3
InChIKeyULLVESVQINIMBJ-UHFFFAOYSA-N
XLogP2.01
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methyl-3-piperidin-3-ylphenol
CID 117298905
2,4-difluoro-6-piperidin-3-ylphenol
CID 84782649
4,5-dimethyl-2-piperidin-3-ylaniline
CID 166143865
4,5-difluoro-2-piperidin-3-ylphenol
CID 84679573
2-chloro-6-methyl-4-piperidin-3-ylphenol
CID 84690213
2-fluoro-5-piperidin-3-ylbenzene-1,4-diol
CID 117301308
3-(2,3,4,5-tetrafluorophenyl)piperidine
CID 117116503
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
4-chloro-2-methyl-6-pyrrolidin-3-ylphenol
CID 117302392
2-bromo-4-methoxy-6-piperidin-3-ylphenol
CID 117460908
3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine
CID 117371265
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol?
The IUPAC name of 2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol (CID 84790142) is 2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol.
What is the SMILES notation for 2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol?
The canonical SMILES for 2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol is Cc1cc(C2CCCNC2)c(O)c(F)c1O.
What is the InChIKey of 2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol?
The InChIKey is ULLVESVQINIMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-7-5-9(8-3-2-4-14-6-8)12(16)10(13)11(7)15/h5,8,14-16H,2-4,6H2,1H3.
What are the key properties of 2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol?
2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol has a molecular weight of 225.26 g/mol, XLogP of 2.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol is sourced from PubChem (CID 84790142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).