1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one

C11H18F3NO2 — CID 155953063

IUPAC1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOC1(C(F)(F)F)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C11H18F3NO2/c1-8(2)9(16)15-6-4-10(17-3,5-7-15)11(12,13)14/h8H,4-7H2,1-3H3
InChIKeyUAKTZLHWPVZKJV-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.21
Rot. Bonds2

About 1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one

1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 155953063) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID155953063
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOC1(C(F)(F)F)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C11H18F3NO2/c1-8(2)9(16)15-6-4-10(17-3,5-7-15)11(12,13)14/h8H,4-7H2,1-3H3
InChIKeyUAKTZLHWPVZKJV-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 121203329
1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 118217440
ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 177326086
3-chloro-1-[(3S)-3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 129498760
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
CID 130891514
1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one
CID 122675589
2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
CID 167326865
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane
CID 158658262
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 107160042

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one (CID 155953063) is 1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one is COC1(C(F)(F)F)CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is UAKTZLHWPVZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-8(2)9(16)15-6-4-10(17-3,5-7-15)11(12,13)14/h8H,4-7H2,1-3H3.
What are the key properties of 1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 253.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 155953063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).