6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol

C12H15ClFNO2 — CID 117403497

IUPAC6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol
SMILESCOc1c(C2CCNCC2)cc(Cl)c(O)c1F
InChIInChI=1S/C12H15ClFNO2/c1-17-12-8(7-2-4-15-5-3-7)6-9(13)11(16)10(12)14/h6-7,15-16H,2-5H2,1H3
InChIKeyMRMMFFKGZLAYAU-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.66
Rot. Bonds2

About 6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol

6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol (PubChem CID 117403497) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol
PubChem CID117403497
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol
SMILESCOc1c(C2CCNCC2)cc(Cl)c(O)c1F
InChIInChI=1S/C12H15ClFNO2/c1-17-12-8(7-2-4-15-5-3-7)6-9(13)11(16)10(12)14/h6-7,15-16H,2-5H2,1H3
InChIKeyMRMMFFKGZLAYAU-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol?
The IUPAC name of 6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol (CID 117403497) is 6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol.
What is the SMILES notation for 6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol?
The canonical SMILES for 6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol is COc1c(C2CCNCC2)cc(Cl)c(O)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol?
The InChIKey is MRMMFFKGZLAYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-17-12-8(7-2-4-15-5-3-7)6-9(13)11(16)10(12)14/h6-7,15-16H,2-5H2,1H3.
What are the key properties of 6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol?
6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol has a molecular weight of 259.71 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-methoxy-4-piperidin-4-ylphenol is sourced from PubChem (CID 117403497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).