4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid

C18H21F3N2O2 — CID 46259330

IUPAC4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCC(C)CC2)nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20N2.C2HF3O2/c1-12-7-9-18(10-8-12)16-11-13(2)14-5-3-4-6-15(14)17-16;3-2(4,5)1(6)7/h3-6,11-12H,7-10H2,1-2H3;(H,6,7)
InChIKeyYFBKBOUIRZJVFW-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.41
Rot. Bonds1

About 4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid

4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid (PubChem CID 46259330) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid
PubChem CID46259330
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCC(C)CC2)nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20N2.C2HF3O2/c1-12-7-9-18(10-8-12)16-11-13(2)14-5-3-4-6-15(14)17-16;3-2(4,5)1(6)7/h3-6,11-12H,7-10H2,1-2H3;(H,6,7)
InChIKeyYFBKBOUIRZJVFW-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid (CID 46259330) is 4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid is Cc1cc(N2CCC(C)CC2)nc2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid?
The InChIKey is YFBKBOUIRZJVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.C2HF3O2/c1-12-7-9-18(10-8-12)16-11-13(2)14-5-3-4-6-15(14)17-16;3-2(4,5)1(6)7/h3-6,11-12H,7-10H2,1-2H3;(H,6,7).
What are the key properties of 4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid?
4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid has a molecular weight of 354.37 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperidin-1-yl)quinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46259330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).