1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one

C12H13F3N2O — CID 168907224

IUPAC1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one
SMILESCc1cc(C(F)(F)F)ncc1N1CCC(=O)CC1
InChIInChI=1S/C12H13F3N2O/c1-8-6-11(12(13,14)15)16-7-10(8)17-4-2-9(18)3-5-17/h6-7H,2-5H2,1H3
InChIKeyYFXSGWUXQSXOIL-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.58
Rot. Bonds1

About 1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one

1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one (PubChem CID 168907224) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one.

Molecular Properties

Compound Name1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one
PubChem CID168907224
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one
SMILESCc1cc(C(F)(F)F)ncc1N1CCC(=O)CC1
InChIInChI=1S/C12H13F3N2O/c1-8-6-11(12(13,14)15)16-7-10(8)17-4-2-9(18)3-5-17/h6-7H,2-5H2,1H3
InChIKeyYFXSGWUXQSXOIL-UHFFFAOYSA-N
XLogP2.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one?
The IUPAC name of 1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one (CID 168907224) is 1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one.
What is the SMILES notation for 1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one?
The canonical SMILES for 1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one is Cc1cc(C(F)(F)F)ncc1N1CCC(=O)CC1.
What is the InChIKey of 1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one?
The InChIKey is YFXSGWUXQSXOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-8-6-11(12(13,14)15)16-7-10(8)17-4-2-9(18)3-5-17/h6-7H,2-5H2,1H3.
What are the key properties of 1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one?
1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one has a molecular weight of 258.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-4-one is sourced from PubChem (CID 168907224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).