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

C10H14F6N2O5 — CID 87542709

IUPACpiperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESNC(=O)C1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.2C2HF3O2/c7-6(9)5-1-3-8-4-2-5;2*3-2(4,5)1(6)7/h5,8H,1-4H2,(H2,7,9);2*(H,6,7)
InChIKeyYYMHFFSHRVUCDU-UHFFFAOYSA-N
MW356.22 g/mol
LogP0.74
Rot. Bonds1

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

piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87542709) has the molecular formula C10H14F6N2O5 and a molecular weight of 356.22 g/mol. Its IUPAC name is piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namepiperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID87542709
Molecular FormulaC10H14F6N2O5
Molecular Weight356.22 g/mol
Exact Mass356.08
IUPAC Namepiperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESNC(=O)C1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.2C2HF3O2/c7-6(9)5-1-3-8-4-2-5;2*3-2(4,5)1(6)7/h5,8H,1-4H2,(H2,7,9);2*(H,6,7)
InChIKeyYYMHFFSHRVUCDU-UHFFFAOYSA-N
XLogP0.74
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Fluoroethyl)piperidine-4-carboxylic acid; trifluoroacetic acid
CID 154577297
2-(1-Hydroxypiperidin-4-yl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 17920965
2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide
CID 22040242
N-butylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate
CID 67032394
N,N-dimethyl-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 68471258
Piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
Piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
CID 68619391
4-(Difluoromethyl)piperidine;2,2,2-trifluoroacetic acid
CID 68758252
Methyl piperidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 69704930
Piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid
CID 70063809
2-Piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 70864620
2-Piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 70864621

Frequently Asked Questions

What is the IUPAC name of piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 87542709) is piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is NC(=O)C1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is YYMHFFSHRVUCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.2C2HF3O2/c7-6(9)5-1-3-8-4-2-5;2*3-2(4,5)1(6)7/h5,8H,1-4H2,(H2,7,9);2*(H,6,7).
What are the key properties of piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 356.22 g/mol, XLogP of 0.74, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87542709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).