4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid

C18H21F3N2O2 — CID 46891914

IUPAC4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCCCC2)nc2c(C)cccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20N2.C2HF3O2/c1-12-7-6-8-14-13(2)11-15(17-16(12)14)18-9-4-3-5-10-18;3-2(4,5)1(6)7/h6-8,11H,3-5,9-10H2,1-2H3;(H,6,7)
InChIKeyHETKAJIQWFJGAM-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.48
Rot. Bonds1

About 4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid

4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid (PubChem CID 46891914) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
PubChem CID46891914
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCCCC2)nc2c(C)cccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20N2.C2HF3O2/c1-12-7-6-8-14-13(2)11-15(17-16(12)14)18-9-4-3-5-10-18;3-2(4,5)1(6)7/h6-8,11H,3-5,9-10H2,1-2H3;(H,6,7)
InChIKeyHETKAJIQWFJGAM-UHFFFAOYSA-N
XLogP4.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid (CID 46891914) is 4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid is Cc1cc(N2CCCCC2)nc2c(C)cccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The InChIKey is HETKAJIQWFJGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.C2HF3O2/c1-12-7-6-8-14-13(2)11-15(17-16(12)14)18-9-4-3-5-10-18;3-2(4,5)1(6)7/h6-8,11H,3-5,9-10H2,1-2H3;(H,6,7).
What are the key properties of 4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid has a molecular weight of 354.37 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46891914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).