piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid)

C12H14F9NO8 — CID 175739246

IUPACpiperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C1CCNCC1
InChIInChI=1S/C6H11NO2.3C2HF3O2/c8-6(9)5-1-3-7-4-2-5;3*3-2(4,5)1(6)7/h5,7H,1-4H2,(H,8,9);3*(H,6,7)
InChIKeyKMARVCZVUMVGSX-UHFFFAOYSA-N
MW471.23 g/mol
LogP1.97
Rot. Bonds1

About piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid)

piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid) (PubChem CID 175739246) has the molecular formula C12H14F9NO8 and a molecular weight of 471.23 g/mol. Its IUPAC name is piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namepiperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid)
PubChem CID175739246
Molecular FormulaC12H14F9NO8
Molecular Weight471.23 g/mol
Exact Mass471.06
IUPAC Namepiperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C1CCNCC1
InChIInChI=1S/C6H11NO2.3C2HF3O2/c8-6(9)5-1-3-7-4-2-5;3*3-2(4,5)1(6)7/h5,7H,1-4H2,(H,8,9);3*(H,6,7)
InChIKeyKMARVCZVUMVGSX-UHFFFAOYSA-N
XLogP1.97
TPSA161.23 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.23
LogP ≤ 51.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-Piperidinecarboxylic acid
CID 3773
4-Fluoropiperidine-4-carboxylic acid hydrochloride
CID 53393267
4-Fluoropiperidine-4-carboxylic acid
CID 53393268
4-(Difluoromethyl)piperidine-4-carboxylic acid hydrochloride
CID 138040731
3,3-Difluoropiperidine-4-carboxylic acid
CID 83480508
4-(2-Fluoroethyl)piperidine-4-carboxylic acid; trifluoroacetic acid
CID 154577297
1-(N-(2,2,2-trifluoroethyl)sulfamoyl)piperidine-4-carboxylic acid
CID 60859394
4-Trifluoromethyl-piperidine-4-carboxylic acid
CID 17983204
2-Fluoro-4-piperidinecarboxylic acid
CID 42628771
3-(Trifluoromethyl)piperidine-4-carboxylic acid
CID 53404054
4-(Trifluoromethyl)piperidine-4-carboxylic acid hydrochloride
CID 66981403
Piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388

Frequently Asked Questions

What is the IUPAC name of piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid) (CID 175739246) is piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C1CCNCC1.
What is the InChIKey of piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is KMARVCZVUMVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.3C2HF3O2/c8-6(9)5-1-3-7-4-2-5;3*3-2(4,5)1(6)7/h5,7H,1-4H2,(H,8,9);3*(H,6,7).
What are the key properties of piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid)?
piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 471.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-4-carboxylic acid;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 175739246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).