1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone

C15H18F3NO — CID 166143876

IUPAC1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ccc(C)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F3NO/c1-10-5-6-12(8-14(10)15(16,17)18)13-4-3-7-19(9-13)11(2)20/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKeyGMQWEFHVPDBPIR-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.74
Rot. Bonds1

About 1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone

1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone (PubChem CID 166143876) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
PubChem CID166143876
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ccc(C)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F3NO/c1-10-5-6-12(8-14(10)15(16,17)18)13-4-3-7-19(9-13)11(2)20/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKeyGMQWEFHVPDBPIR-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone (CID 166143876) is 1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2ccc(C)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The InChIKey is GMQWEFHVPDBPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-10-5-6-12(8-14(10)15(16,17)18)13-4-3-7-19(9-13)11(2)20/h5-6,8,13H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone has a molecular weight of 285.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166143876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).