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

C15H18F3NO — CID 22613944

IUPAC2-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCN1CCCC(CC(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F3NO/c1-19-7-3-4-11(10-19)8-14(20)12-5-2-6-13(9-12)15(16,17)18/h2,5-6,9,11H,3-4,7-8,10H2,1H3
InChIKeyXQEASMWYPIHFGN-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.62
Rot. Bonds3

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

2-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 22613944) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID22613944
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCN1CCCC(CC(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F3NO/c1-19-7-3-4-11(10-19)8-14(20)12-5-2-6-13(9-12)15(16,17)18/h2,5-6,9,11H,3-4,7-8,10H2,1H3
InChIKeyXQEASMWYPIHFGN-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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Related Compounds

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CID 9926325
Eperisone Hydrochloride
CID 123698
Lenperone
CID 32593
DuP 734
CID 121967
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3-Piperidinopropiophenone hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone (CID 22613944) is 2-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone is CN1CCCC(CC(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is XQEASMWYPIHFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-19-7-3-4-11(10-19)8-14(20)12-5-2-6-13(9-12)15(16,17)18/h2,5-6,9,11H,3-4,7-8,10H2,1H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone?
2-(1-methylpiperidin-3-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-(1-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 22613944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).