1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C8H13F3N2O4 — CID 159359575

IUPAC1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CCN(O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O2.C2HF3O2/c7-6(9)5-1-3-8(10)4-2-5;3-2(4,5)1(6)7/h5,10H,1-4H2,(H2,7,9);(H,6,7)
InChIKeyLIJAQEZSWJVYBJ-UHFFFAOYSA-N
MW258.20 g/mol
LogP0.21
Rot. Bonds1

About 1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 159359575) has the molecular formula C8H13F3N2O4 and a molecular weight of 258.20 g/mol. Its IUPAC name is 1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID159359575
Molecular FormulaC8H13F3N2O4
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CCN(O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O2.C2HF3O2/c7-6(9)5-1-3-8(10)4-2-5;3-2(4,5)1(6)7/h5,10H,1-4H2,(H2,7,9);(H,6,7)
InChIKeyLIJAQEZSWJVYBJ-UHFFFAOYSA-N
XLogP0.21
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 159359575) is 1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)C1CCN(O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LIJAQEZSWJVYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C2HF3O2/c7-6(9)5-1-3-8(10)4-2-5;3-2(4,5)1(6)7/h5,10H,1-4H2,(H2,7,9);(H,6,7).
What are the key properties of 1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 258.20 g/mol, XLogP of 0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159359575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).