3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C8H13F3N2O2 — CID 128964482

IUPAC3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESNC(=O)C1(O)CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-13-3-1-2-7(15,4-13)6(12)14/h15H,1-5H2,(H2,12,14)
InChIKeyBJFFJDJIWGEGJK-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.14
Rot. Bonds2

About 3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 128964482) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID128964482
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESNC(=O)C1(O)CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-13-3-1-2-7(15,4-13)6(12)14/h15H,1-5H2,(H2,12,14)
InChIKeyBJFFJDJIWGEGJK-UHFFFAOYSA-N
XLogP-0.14
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 128964482) is 3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is NC(=O)C1(O)CCCN(CC(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is BJFFJDJIWGEGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)5-13-3-1-2-7(15,4-13)6(12)14/h15H,1-5H2,(H2,12,14).
What are the key properties of 3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 226.20 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 128964482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).