cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone

C12H18F3NO2 — CID 58450375

IUPACcyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone
SMILESCOC(C1CCN(C(=O)C2CC2)CC1)C(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-18-10(12(13,14)15)8-4-6-16(7-5-8)11(17)9-2-3-9/h8-10H,2-7H2,1H3
InChIKeyGFDBERUUAHIWJT-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.21
Rot. Bonds3

About cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone

cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 58450375) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone
PubChem CID58450375
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Namecyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone
SMILESCOC(C1CCN(C(=O)C2CC2)CC1)C(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-18-10(12(13,14)15)8-4-6-16(7-5-8)11(17)9-2-3-9/h8-10H,2-7H2,1H3
InChIKeyGFDBERUUAHIWJT-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylate
CID 601868
4-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester, (S)-
CID 22217585
Ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylate
CID 43423506
1-[4-(2,2,2-Trifluoro-1-methoxyethyl)piperidin-1-yl]propan-1-one
CID 58450199
Methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate
CID 58450249
1-[4-(2,2,2-Trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
CID 58450278
1-[4-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
CID 58450280
1-[4-Fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
CID 58450378
1-(1-Trifluoromethyl-cyclopropanecarbonyl)-piperidine-4-carboxylic acid ethyl ester
CID 66865273
Ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate
CID 66889290
1-Cyclopropanecarbonyl-4-[2,2,2-trifluoro-1-(triethyl-siloxy)ethyl]piperidine
CID 67402240
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone (CID 58450375) is cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone is COC(C1CCN(C(=O)C2CC2)CC1)C(F)(F)F.
What is the InChIKey of cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is GFDBERUUAHIWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-18-10(12(13,14)15)8-4-6-16(7-5-8)11(17)9-2-3-9/h8-10H,2-7H2,1H3.
What are the key properties of cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone?
cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 265.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 58450375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).