[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone

C13H15F3N2O — CID 2796058

IUPAC[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C13H15F3N2O/c1-9-10(5-6-11(17-9)13(14,15)16)12(19)18-7-3-2-4-8-18/h5-6H,2-4,7-8H2,1H3
InChIKeyXXJJTZPLEATWCO-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.03
Rot. Bonds1

About [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone

[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 2796058) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID2796058
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C13H15F3N2O/c1-9-10(5-6-11(17-9)13(14,15)16)12(19)18-7-3-2-4-8-18/h5-6H,2-4,7-8H2,1H3
InChIKeyXXJJTZPLEATWCO-UHFFFAOYSA-N
XLogP3.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone (CID 2796058) is [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1.
What is the InChIKey of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is XXJJTZPLEATWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-9-10(5-6-11(17-9)13(14,15)16)12(19)18-7-3-2-4-8-18/h5-6H,2-4,7-8H2,1H3.
What are the key properties of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone?
[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 272.27 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2796058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).