2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid

C19H23F3N2O2 — CID 46259331

IUPAC2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CC(C)CC(C)C2)nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N2.C2HF3O2/c1-12-8-13(2)11-19(10-12)17-9-14(3)15-6-4-5-7-16(15)18-17;3-2(4,5)1(6)7/h4-7,9,12-13H,8,10-11H2,1-3H3;(H,6,7)
InChIKeyYWDXVUXVSUFMHB-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.66
Rot. Bonds1

About 2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid

2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid (PubChem CID 46259331) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid
PubChem CID46259331
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CC(C)CC(C)C2)nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N2.C2HF3O2/c1-12-8-13(2)11-19(10-12)17-9-14(3)15-6-4-5-7-16(15)18-17;3-2(4,5)1(6)7/h4-7,9,12-13H,8,10-11H2,1-3H3;(H,6,7)
InChIKeyYWDXVUXVSUFMHB-UHFFFAOYSA-N
XLogP4.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid (CID 46259331) is 2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid is Cc1cc(N2CC(C)CC(C)C2)nc2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid?
The InChIKey is YWDXVUXVSUFMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.C2HF3O2/c1-12-8-13(2)11-19(10-12)17-9-14(3)15-6-4-5-7-16(15)18-17;3-2(4,5)1(6)7/h4-7,9,12-13H,8,10-11H2,1-3H3;(H,6,7).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid?
2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid has a molecular weight of 368.40 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-4-methylquinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46259331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).