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

C12H16FNO — CID 84780709

IUPAC2-fluoro-4-methyl-5-piperidin-2-ylphenol
SMILESCc1cc(F)c(O)cc1C1CCCCN1
InChIInChI=1S/C12H16FNO/c1-8-6-10(13)12(15)7-9(8)11-4-2-3-5-14-11/h6-7,11,14-15H,2-5H2,1H3
InChIKeyVPFXXAWFNXAPRW-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.65
Rot. Bonds1

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

2-fluoro-4-methyl-5-piperidin-2-ylphenol (PubChem CID 84780709) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-fluoro-4-methyl-5-piperidin-2-ylphenol.

Molecular Properties

Compound Name2-fluoro-4-methyl-5-piperidin-2-ylphenol
PubChem CID84780709
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-fluoro-4-methyl-5-piperidin-2-ylphenol
SMILESCc1cc(F)c(O)cc1C1CCCCN1
InChIInChI=1S/C12H16FNO/c1-8-6-10(13)12(15)7-9(8)11-4-2-3-5-14-11/h6-7,11,14-15H,2-5H2,1H3
InChIKeyVPFXXAWFNXAPRW-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine
CID 117316900
2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol
CID 131447438
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
2,5-dimethyl-4-piperidin-2-ylaniline
CID 58255114
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447
2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol
CID 117320762
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
2-(azepan-2-yl)-5-fluorophenol
CID 107014696
2-(5-bromo-4-chloro-2-methylphenyl)piperidine
CID 84814511
(2S)-2-(4-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 66518685
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-5-piperidin-2-ylphenol?
The IUPAC name of 2-fluoro-4-methyl-5-piperidin-2-ylphenol (CID 84780709) is 2-fluoro-4-methyl-5-piperidin-2-ylphenol.
What is the SMILES notation for 2-fluoro-4-methyl-5-piperidin-2-ylphenol?
The canonical SMILES for 2-fluoro-4-methyl-5-piperidin-2-ylphenol is Cc1cc(F)c(O)cc1C1CCCCN1.
What is the InChIKey of 2-fluoro-4-methyl-5-piperidin-2-ylphenol?
The InChIKey is VPFXXAWFNXAPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-6-10(13)12(15)7-9(8)11-4-2-3-5-14-11/h6-7,11,14-15H,2-5H2,1H3.
What are the key properties of 2-fluoro-4-methyl-5-piperidin-2-ylphenol?
2-fluoro-4-methyl-5-piperidin-2-ylphenol has a molecular weight of 209.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-5-piperidin-2-ylphenol is sourced from PubChem (CID 84780709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).