1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid

C8H10F3NO3 — CID 4552138

IUPAC1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-3-1-5(2-4-12)6(13)14/h5H,1-4H2,(H,13,14)
InChIKeyUSCGUOIGFONADD-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.87
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid

1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid (PubChem CID 4552138) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
PubChem CID4552138
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-3-1-5(2-4-12)6(13)14/h5H,1-4H2,(H,13,14)
InChIKeyUSCGUOIGFONADD-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110364785
1-(4-ethynylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 126598063
piperidine-1,4-dicarboxylic acid
CID 18542445
1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 103637569
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 24744899
2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 10330779
1-[4-(2,6-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110755890
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108932472
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110666960
N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110715002

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid (CID 4552138) is 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid?
The InChIKey is USCGUOIGFONADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-3-1-5(2-4-12)6(13)14/h5H,1-4H2,(H,13,14).
What are the key properties of 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid?
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid has a molecular weight of 225.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 4552138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).