6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline

C15H17FN2O — CID 138687746

IUPAC6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline
SMILESCOC1CNCCC1c1ccnc2ccc(F)cc12
InChIInChI=1S/C15H17FN2O/c1-19-15-9-17-6-4-12(15)11-5-7-18-14-3-2-10(16)8-13(11)14/h2-3,5,7-8,12,15,17H,4,6,9H2,1H3
InChIKeyPVTRGUHNDJZHEX-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.47
Rot. Bonds2

About 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline

6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline (PubChem CID 138687746) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline.

Molecular Properties

Compound Name6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline
PubChem CID138687746
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline
SMILESCOC1CNCCC1c1ccnc2ccc(F)cc12
InChIInChI=1S/C15H17FN2O/c1-19-15-9-17-6-4-12(15)11-5-7-18-14-3-2-10(16)8-13(11)14/h2-3,5,7-8,12,15,17H,4,6,9H2,1H3
InChIKeyPVTRGUHNDJZHEX-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline?
The IUPAC name of 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline (CID 138687746) is 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline.
What is the SMILES notation for 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline?
The canonical SMILES for 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline is COC1CNCCC1c1ccnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline?
The InChIKey is PVTRGUHNDJZHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-19-15-9-17-6-4-12(15)11-5-7-18-14-3-2-10(16)8-13(11)14/h2-3,5,7-8,12,15,17H,4,6,9H2,1H3.
What are the key properties of 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline?
6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline has a molecular weight of 260.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline is sourced from PubChem (CID 138687746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).