2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one

C11H18F3NO2 — CID 170759213

IUPAC2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC(COC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-8(2)10(16)15-5-3-4-9(6-15)7-17-11(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyJPGQKLIUISYUNT-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.42
Rot. Bonds3

About 2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one

2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 170759213) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID170759213
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC(COC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-8(2)10(16)15-5-3-4-9(6-15)7-17-11(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyJPGQKLIUISYUNT-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one
CID 53150825
1-[4-(2-Methoxyethyl)piperidin-1-YL]-4-methylpentan-1-one
CID 53150834
2-(oxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 58376679
1-Trifluoroacetylpiperidin-3-yl methanol
CID 58992664
(3R)-3-(acetyloxymethyl)piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 67630076
(3S)-3-(butanoyloxymethyl)piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 67725357
(S)-3-isobutyroxymethyl-1-piperidinecarboxylic acid trifluoroacetic acid salt
CID 67725751
(2,2,2-trifluoroacetyl) (3R)-3-(acetyloxymethyl)piperidine-1-carboxylate
CID 88325203
(2,2,2-trifluoroacetyl) (3S)-3-(butoxymethyl)piperidine-1-carboxylate
CID 88385654
(2,2,2-trifluoroacetyl) (3S)-3-(2-methylpropoxymethyl)piperidine-1-carboxylate
CID 88385923
2,2-Dimethyl-1-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)piperidin-1-yl]propan-1-one
CID 126750352
2,2-Dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
CID 126750472

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one (CID 170759213) is 2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCCC(COC(F)(F)F)C1.
What is the InChIKey of 2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is JPGQKLIUISYUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-8(2)10(16)15-5-3-4-9(6-15)7-17-11(12,13)14/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one?
2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 253.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 170759213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).