1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone

C9H14F3NO — CID 3680542

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCC1CC(C)CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-6-3-7(2)5-13(4-6)8(14)9(10,11)12/h6-7H,3-5H2,1-2H3
InChIKeyGBXHVFGYRHAOMM-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.05
Rot. Bonds

About 1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone

1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 3680542) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID3680542
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCC1CC(C)CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-6-3-7(2)5-13(4-6)8(14)9(10,11)12/h6-7H,3-5H2,1-2H3
InChIKeyGBXHVFGYRHAOMM-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3r)-1-Acetyl-3-Methylpiperidine
CID 449120
Ethanone, 1-(3-methyl-1-piperidinyl)-
CID 107304
1-Trifluoroacetyl piperidine
CID 5181830
1-Acetyl-4-methylpiperidine
CID 78341
1-(4-Fluoro-4-methylpiperidin-1-yl)ethanone
CID 67570230
2,2,2-Trifluoro-1-(cis-3-fluoro-4,5-dimethylpiperidin-1-yl)ethan-1-one
CID 134827889
2,2,2-Trifluoro-1-(cis-3-fluoro-5-methylpiperidin-1-yl)ethan-1-one
CID 134827930
1-Methyl-5-(trifluoromethyl)piperidin-2-one
CID 135025195
3,3,3-Trifluoro-1-piperidin-1-yl-2-trifluoromethyl-propan-1-one
CID 4328661
1-(3,3,3-Trifluoropropanoyl)piperidine
CID 14383592
1-(4,4-Difluoropiperidin-1-yl)ethanone
CID 23402906
2-Fluoro-1-(4-methylpiperidin-1-yl)ethanone
CID 45080727

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone (CID 3680542) is 1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone is CC1CC(C)CN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is GBXHVFGYRHAOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-6-3-7(2)5-13(4-6)8(14)9(10,11)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 209.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 3680542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).