4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid

C13H17F3N2O2 — CID 46891916

IUPAC4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccnc(N2CCCCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N2.C2HF3O2/c1-10-5-6-12-11(9-10)13-7-3-2-4-8-13;3-2(4,5)1(6)7/h5-6,9H,2-4,7-8H2,1H3;(H,6,7)
InChIKeyARSXCGHRNINWGR-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.01
Rot. Bonds1

About 4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid

4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid (PubChem CID 46891916) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid
PubChem CID46891916
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccnc(N2CCCCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N2.C2HF3O2/c1-10-5-6-12-11(9-10)13-7-3-2-4-8-13;3-2(4,5)1(6)7/h5-6,9H,2-4,7-8H2,1H3;(H,6,7)
InChIKeyARSXCGHRNINWGR-UHFFFAOYSA-N
XLogP3.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid (CID 46891916) is 4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid is Cc1ccnc(N2CCCCC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid?
The InChIKey is ARSXCGHRNINWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C2HF3O2/c1-10-5-6-12-11(9-10)13-7-3-2-4-8-13;3-2(4,5)1(6)7/h5-6,9H,2-4,7-8H2,1H3;(H,6,7).
What are the key properties of 4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid?
4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid has a molecular weight of 290.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-1-ylpyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46891916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).