6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid

C17H18F4N2O3 — CID 138687745

IUPAC6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid
SMILESCOC1CNCCC1c1ccnc2ccc(F)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H17FN2O.C2HF3O2/c1-19-15-9-17-6-4-12(15)11-5-7-18-14-3-2-10(16)8-13(11)14;3-2(4,5)1(6)7/h2-3,5,7-8,12,15,17H,4,6,9H2,1H3;(H,6,7)
InChIKeyOBVIWALPQMYEJZ-UHFFFAOYSA-N
MW374.33 g/mol
LogP3.10
Rot. Bonds2

About 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid

6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid (PubChem CID 138687745) has the molecular formula C17H18F4N2O3 and a molecular weight of 374.33 g/mol. Its IUPAC name is 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid
PubChem CID138687745
Molecular FormulaC17H18F4N2O3
Molecular Weight374.33 g/mol
Exact Mass374.13
IUPAC Name6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid
SMILESCOC1CNCCC1c1ccnc2ccc(F)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H17FN2O.C2HF3O2/c1-19-15-9-17-6-4-12(15)11-5-7-18-14-3-2-10(16)8-13(11)14;3-2(4,5)1(6)7/h2-3,5,7-8,12,15,17H,4,6,9H2,1H3;(H,6,7)
InChIKeyOBVIWALPQMYEJZ-UHFFFAOYSA-N
XLogP3.10
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid (CID 138687745) is 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid is COC1CNCCC1c1ccnc2ccc(F)cc12.O=C(O)C(F)(F)F.
What is the InChIKey of 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid?
The InChIKey is OBVIWALPQMYEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O.C2HF3O2/c1-19-15-9-17-6-4-12(15)11-5-7-18-14-3-2-10(16)8-13(11)14;3-2(4,5)1(6)7/h2-3,5,7-8,12,15,17H,4,6,9H2,1H3;(H,6,7).
What are the key properties of 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid?
6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid has a molecular weight of 374.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(3-methoxypiperidin-4-yl)quinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138687745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).