1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

C12H21F3N2O2 — CID 103205292

IUPAC1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCCNC1CCCN(C(=O)CCOCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-2-16-10-4-3-6-17(8-10)11(18)5-7-19-9-12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyLBECJKHETZNKIJ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.56
Rot. Bonds6

About 1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103205292) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103205292
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCCNC1CCCN(C(=O)CCOCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-2-16-10-4-3-6-17(8-10)11(18)5-7-19-9-12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyLBECJKHETZNKIJ-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one 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-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103205292) is 1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one is CCNC1CCCN(C(=O)CCOCC(F)(F)F)C1.
What is the InChIKey of 1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is LBECJKHETZNKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-16-10-4-3-6-17(8-10)11(18)5-7-19-9-12(13,14)15/h10,16H,2-9H2,1H3.
What are the key properties of 1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 282.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103205292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).