1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one

C12H20F3NO2 — CID 176832488

IUPAC1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
SMILESCOC1CC(C(F)(F)F)NCC1C(=O)C(C)(C)C
InChIInChI=1S/C12H20F3NO2/c1-11(2,3)10(17)7-6-16-9(12(13,14)15)5-8(7)18-4/h7-9,16H,5-6H2,1-4H3
InChIKeyBTDLLQDQIIPJLX-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.16
Rot. Bonds2

About 1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one

1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one (PubChem CID 176832488) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
PubChem CID176832488
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
SMILESCOC1CC(C(F)(F)F)NCC1C(=O)C(C)(C)C
InChIInChI=1S/C12H20F3NO2/c1-11(2,3)10(17)7-6-16-9(12(13,14)15)5-8(7)18-4/h7-9,16H,5-6H2,1-4H3
InChIKeyBTDLLQDQIIPJLX-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
CID 176833255
2,2-dimethyl-1-[5-(trifluoromethyl)piperazin-2-yl]propan-1-one
CID 176832490
1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 116560655
2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one
CID 176832815
2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
CID 176833257
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176833678
cis-(1R,2S)-2-methoxycyclopropane-1-carboxylic acid
CID 14269839
1-[(1S,2S)-2-methoxycyclopropyl]ethanone
CID 134856757
1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one
CID 59214776
2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride
CID 136575931
2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one
CID 176834152
2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 112602539

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one (CID 176832488) is 1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one is COC1CC(C(F)(F)F)NCC1C(=O)C(C)(C)C.
What is the InChIKey of 1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one?
The InChIKey is BTDLLQDQIIPJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-11(2,3)10(17)7-6-16-9(12(13,14)15)5-8(7)18-4/h7-9,16H,5-6H2,1-4H3.
What are the key properties of 1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one?
1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one has a molecular weight of 267.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176832488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).