methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate

C11H16F3NO4 — CID 103616536

IUPACmethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4/c1-18-10(17)8-2-4-15(5-3-8)9(16)6-19-7-11(12,13)14/h8H,2-7H2,1H3
InChIKeyAYSFMLNYNCAVNP-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.98
Rot. Bonds4

About methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate

methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate (PubChem CID 103616536) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate
PubChem CID103616536
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Namemethyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4/c1-18-10(17)8-2-4-15(5-3-8)9(16)6-19-7-11(12,13)14/h8H,2-7H2,1H3
InChIKeyAYSFMLNYNCAVNP-UHFFFAOYSA-N
XLogP0.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
CID 5185709
Methyl 1-[ethoxy(oxo)acetyl]-4-piperidinecarboxylate
CID 2162118
Butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylate
CID 601868
Ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate
CID 2162839
methyl (3S,4S)-1-(2-butan-2-yloxyacetyl)-3-methylpiperidine-4-carboxylate
CID 138036356
4-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester, (S)-
CID 22217585
Ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylate
CID 43423506
Ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate
CID 58282570
4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate
CID 60705855
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
Ethyl 1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-carboxylate
CID 90018229

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate (CID 103616536) is methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COCC(F)(F)F)CC1.
What is the InChIKey of methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate?
The InChIKey is AYSFMLNYNCAVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-18-10(17)8-2-4-15(5-3-8)9(16)6-19-7-11(12,13)14/h8H,2-7H2,1H3.
What are the key properties of methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate has a molecular weight of 283.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 103616536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).