4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C8H13F3N2O2 — CID 115584047

IUPAC4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-7(15)13-3-1-6(14)2-4-13/h6,14H,1-5H2,(H,12,15)
InChIKeyLBKWTKDPRIODBK-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.71
Rot. Bonds1

About 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 115584047) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID115584047
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-7(15)13-3-1-6(14)2-4-13/h6,14H,1-5H2,(H,12,15)
InChIKeyLBKWTKDPRIODBK-UHFFFAOYSA-N
XLogP0.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 115584047) is 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is LBKWTKDPRIODBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-7(15)13-3-1-6(14)2-4-13/h6,14H,1-5H2,(H,12,15).
What are the key properties of 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 115584047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).