6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid

C17H18F4N2O2 — CID 46891902

IUPAC6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCCCC2)nc2ccc(F)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H17FN2.C2HF3O2/c1-11-9-15(18-7-3-2-4-8-18)17-14-6-5-12(16)10-13(11)14;3-2(4,5)1(6)7/h5-6,9-10H,2-4,7-8H2,1H3;(H,6,7)
InChIKeyXCNPRUCFJVGKQM-UHFFFAOYSA-N
MW358.34 g/mol
LogP4.31
Rot. Bonds1

About 6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid

6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid (PubChem CID 46891902) has the molecular formula C17H18F4N2O2 and a molecular weight of 358.34 g/mol. Its IUPAC name is 6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
PubChem CID46891902
Molecular FormulaC17H18F4N2O2
Molecular Weight358.34 g/mol
Exact Mass358.13
IUPAC Name6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCCCC2)nc2ccc(F)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H17FN2.C2HF3O2/c1-11-9-15(18-7-3-2-4-8-18)17-14-6-5-12(16)10-13(11)14;3-2(4,5)1(6)7/h5-6,9-10H,2-4,7-8H2,1H3;(H,6,7)
InChIKeyXCNPRUCFJVGKQM-UHFFFAOYSA-N
XLogP4.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid (CID 46891902) is 6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid is Cc1cc(N2CCCCC2)nc2ccc(F)cc12.O=C(O)C(F)(F)F.
What is the InChIKey of 6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The InChIKey is XCNPRUCFJVGKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2.C2HF3O2/c1-11-9-15(18-7-3-2-4-8-18)17-14-6-5-12(16)10-13(11)14;3-2(4,5)1(6)7/h5-6,9-10H,2-4,7-8H2,1H3;(H,6,7).
What are the key properties of 6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid has a molecular weight of 358.34 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46891902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).