1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C13H23F3N2O3 — CID 78957840

IUPAC1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCCOCCOC1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O3/c1-2-20-7-8-21-11-3-5-18(6-4-11)12(19)9-17-10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyKVGRRQCGQIUOIS-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.18
Rot. Bonds8

About 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78957840) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78957840
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCCOCCOC1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O3/c1-2-20-7-8-21-11-3-5-18(6-4-11)12(19)9-17-10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyKVGRRQCGQIUOIS-UHFFFAOYSA-N
XLogP1.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 78957840) is 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is CCOCCOC1CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is KVGRRQCGQIUOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-2-20-7-8-21-11-3-5-18(6-4-11)12(19)9-17-10-13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 312.33 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78957840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).