3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol

C12H15F2NO2 — CID 117359415

IUPAC3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol
SMILESCOc1cc(F)c(F)c(C2CCCCN2)c1O
InChIInChI=1S/C12H15F2NO2/c1-17-9-6-7(13)11(14)10(12(9)16)8-4-2-3-5-15-8/h6,8,15-16H,2-5H2,1H3
InChIKeyYEAHVTNNRABOBC-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.49
Rot. Bonds2

About 3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol

3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol (PubChem CID 117359415) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol.

Molecular Properties

Compound Name3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol
PubChem CID117359415
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol
SMILESCOc1cc(F)c(F)c(C2CCCCN2)c1O
InChIInChI=1S/C12H15F2NO2/c1-17-9-6-7(13)11(14)10(12(9)16)8-4-2-3-5-15-8/h6,8,15-16H,2-5H2,1H3
InChIKeyYEAHVTNNRABOBC-UHFFFAOYSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117489094
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
CID 84814358
6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131252293
3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
CID 117489090
2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196234

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol?
The IUPAC name of 3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol (CID 117359415) is 3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol.
What is the SMILES notation for 3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol?
The canonical SMILES for 3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol is COc1cc(F)c(F)c(C2CCCCN2)c1O.
What is the InChIKey of 3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol?
The InChIKey is YEAHVTNNRABOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-17-9-6-7(13)11(14)10(12(9)16)8-4-2-3-5-15-8/h6,8,15-16H,2-5H2,1H3.
What are the key properties of 3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol?
3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol has a molecular weight of 243.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol is sourced from PubChem (CID 117359415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).