1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C9H15F3N2O2 — CID 78958610

IUPAC1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-5-8(16)14-3-1-7(15)2-4-14/h7,13,15H,1-6H2
InChIKeyWGWSBSQPIGQXEN-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.12
Rot. Bonds3

About 1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78958610) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78958610
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-5-8(16)14-3-1-7(15)2-4-14/h7,13,15H,1-6H2
InChIKeyWGWSBSQPIGQXEN-UHFFFAOYSA-N
XLogP0.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 78958610) is 1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is WGWSBSQPIGQXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-5-8(16)14-3-1-7(15)2-4-14/h7,13,15H,1-6H2.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 240.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78958610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).