2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone

C15H18F3NO — CID 2474390

IUPAC2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCC1CCN(CC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3NO/c1-11-5-7-19(8-6-11)10-14(20)12-3-2-4-13(9-12)15(16,17)18/h2-4,9,11H,5-8,10H2,1H3
InChIKeyUOFAIZIQHDCOAA-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.62
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone

2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 2474390) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID2474390
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCC1CCN(CC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3NO/c1-11-5-7-19(8-6-11)10-14(20)12-3-2-4-13(9-12)15(16,17)18/h2-4,9,11H,5-8,10H2,1H3
InChIKeyUOFAIZIQHDCOAA-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone (CID 2474390) is 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone is CC1CCN(CC(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is UOFAIZIQHDCOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-11-5-7-19(8-6-11)10-14(20)12-3-2-4-13(9-12)15(16,17)18/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone?
2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 285.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 2474390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).