2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

C10H17F3N2O2 — CID 110877860

IUPAC2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C10H17F3N2O2/c1-7(9(17)14-6-10(11,12)13)15-4-2-8(16)3-5-15/h7-8,16H,2-6H2,1H3,(H,14,17)
InChIKeyWSTJICHSWUPTFC-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.51
Rot. Bonds3

About 2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 110877860) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID110877860
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C10H17F3N2O2/c1-7(9(17)14-6-10(11,12)13)15-4-2-8(16)3-5-15/h7-8,16H,2-6H2,1H3,(H,14,17)
InChIKeyWSTJICHSWUPTFC-UHFFFAOYSA-N
XLogP0.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 110877860) is 2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)N1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is WSTJICHSWUPTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(9(17)14-6-10(11,12)13)15-4-2-8(16)3-5-15/h7-8,16H,2-6H2,1H3,(H,14,17).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 110877860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).