4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one

C10H16F3NO2 — CID 126694279

IUPAC4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one
SMILESCOC1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-16-8-3-6-14(7-4-8)9(15)2-5-10(11,12)13/h8H,2-7H2,1H3
InChIKeyFXLKJXOLJQUQHP-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.97
Rot. Bonds3

About 4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one

4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one (PubChem CID 126694279) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one
PubChem CID126694279
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one
SMILESCOC1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-16-8-3-6-14(7-4-8)9(15)2-5-10(11,12)13/h8H,2-7H2,1H3
InChIKeyFXLKJXOLJQUQHP-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluoropiperidin-1-yl)-3-methoxypropan-1-one
CID 172438550
2,2,2-Trifluoro-1-(cis-3-fluoro-4-methoxypiperidin-1-yl)ethan-1-one
CID 134827899
2-(4-methoxypiperidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78898220
2,2-Difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 58122754
1-[4-(2,2,2-Trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one
CID 58450199
2,2,2-Trifluoro-1-(4-methoxypiperidin-1-yl)ethanone
CID 58896716
1-(4-Ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62726538
4-Amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one
CID 66677902
1-[4-(2,2,2-Trifluoroethoxy)piperidin-1-yl]ethanone
CID 68211716
Ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate
CID 71232328
2,2,2-Trifluoro-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 88915727
1-[4-(1-Ethoxyethoxy)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 89565487

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one (CID 126694279) is 4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one is COC1CCN(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one?
The InChIKey is FXLKJXOLJQUQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-16-8-3-6-14(7-4-8)9(15)2-5-10(11,12)13/h8H,2-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one?
4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-methoxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 126694279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).