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

C10H13F6NO6 — CID 172721323

IUPACpiperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C1CCNCC1
InChIInChI=1S/C6H11NO2.2C2HF3O2/c8-6(9)5-1-3-7-4-2-5;2*3-2(4,5)1(6)7/h5,7H,1-4H2,(H,8,9);2*(H,6,7)
InChIKeyGNZCXAGDDOKZKD-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.34
Rot. Bonds1

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

piperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid) (PubChem CID 172721323) has the molecular formula C10H13F6NO6 and a molecular weight of 357.20 g/mol. Its IUPAC name is piperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namepiperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
PubChem CID172721323
Molecular FormulaC10H13F6NO6
Molecular Weight357.20 g/mol
Exact Mass357.06
IUPAC Namepiperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C1CCNCC1
InChIInChI=1S/C6H11NO2.2C2HF3O2/c8-6(9)5-1-3-7-4-2-5;2*3-2(4,5)1(6)7/h5,7H,1-4H2,(H,8,9);2*(H,6,7)
InChIKeyGNZCXAGDDOKZKD-UHFFFAOYSA-N
XLogP1.34
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-Piperidinecarboxylic acid
CID 3773
Isonipecotic acid hydrochloride
CID 22298
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
Isonipecotate chloride
CID 129699934
4-Trifluoromethyl-piperidine-4-carboxylic acid
CID 17983204
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid
CID 19622790
2-Fluoro-4-piperidinecarboxylic acid
CID 42628771

Frequently Asked Questions

What is the IUPAC name of piperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of piperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid) (CID 172721323) is piperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for piperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for piperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid) is 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;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is GNZCXAGDDOKZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.2C2HF3O2/c8-6(9)5-1-3-7-4-2-5;2*3-2(4,5)1(6)7/h5,7H,1-4H2,(H,8,9);2*(H,6,7).
What are the key properties of piperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid)?
piperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 357.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-4-carboxylic acid;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 172721323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).