piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid

C8H12F3NO4 — CID 67159791

IUPACpiperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)N1CCCCC1
InChIInChI=1S/C6H11NO2.C2HF3O2/c8-6(9)7-4-2-1-3-5-7;3-2(4,5)1(6)7/h1-5H2,(H,8,9);(H,6,7)
InChIKeyGGEANMOTYYNNNI-UHFFFAOYSA-N
MW243.18 g/mol
LogP1.78
Rot. Bonds

About piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid

piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 67159791) has the molecular formula C8H12F3NO4 and a molecular weight of 243.18 g/mol. Its IUPAC name is piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID67159791
Molecular FormulaC8H12F3NO4
Molecular Weight243.18 g/mol
Exact Mass243.07
IUPAC Namepiperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)N1CCCCC1
InChIInChI=1S/C6H11NO2.C2HF3O2/c8-6(9)7-4-2-1-3-5-7;3-2(4,5)1(6)7/h1-5H2,(H,8,9);(H,6,7)
InChIKeyGGEANMOTYYNNNI-UHFFFAOYSA-N
XLogP1.78
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpiperidine;2,2,2-trifluoroacetic acid
CID 12593400
1-Ethylpiperidine;2,2,2-trifluoroacetic acid
CID 22623625
4,4-Difluoropiperidine-1-carboxylic acid
CID 22741696
3,3-Difluoropiperidine-1-carboxylic acid
CID 57465555
3,3-Difluoro-4,4-dihydroxypiperidine-1-carboxylic acid
CID 67230086
2,4,4-Trifluoropiperidine-1-carboxylic acid
CID 67251611
Piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 69078735
2-Piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid
CID 70060753
(2,2,2-Trifluoroacetyl) piperidine-1-carboxylate
CID 87291791
2,4-Difluoropiperidine-1-carboxylic acid
CID 87325235
1-Methylpiperidine;bis(2,2,2-trifluoroacetic acid)
CID 87331392
1-Fluoropiperidine;bis(2,2,2-trifluoroacetic acid)
CID 87362137

Frequently Asked Questions

What is the IUPAC name of piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid (CID 67159791) is piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)N1CCCCC1.
What is the InChIKey of piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is GGEANMOTYYNNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2HF3O2/c8-6(9)7-4-2-1-3-5-7;3-2(4,5)1(6)7/h1-5H2,(H,8,9);(H,6,7).
What are the key properties of piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid?
piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 243.18 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67159791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).