1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone

C18H25F3N2O — CID 60502308

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone
SMILESCC1CC(C)CN(C(=O)CN(C)Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H25F3N2O/c1-13-7-14(2)10-23(9-13)17(24)12-22(3)11-15-5-4-6-16(8-15)18(19,20)21/h4-6,8,13-14H,7,9-12H2,1-3H3
InChIKeyYQHRAAXQMGNEHD-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.64
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone (PubChem CID 60502308) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone
PubChem CID60502308
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone
SMILESCC1CC(C)CN(C(=O)CN(C)Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H25F3N2O/c1-13-7-14(2)10-23(9-13)17(24)12-22(3)11-15-5-4-6-16(8-15)18(19,20)21/h4-6,8,13-14H,7,9-12H2,1-3H3
InChIKeyYQHRAAXQMGNEHD-UHFFFAOYSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone (CID 60502308) is 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone is CC1CC(C)CN(C(=O)CN(C)Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone?
The InChIKey is YQHRAAXQMGNEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-13-7-14(2)10-23(9-13)17(24)12-22(3)11-15-5-4-6-16(8-15)18(19,20)21/h4-6,8,13-14H,7,9-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone has a molecular weight of 342.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone is sourced from PubChem (CID 60502308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).