1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone

C12H20F3NO2 — CID 63845640

IUPAC1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-10(17)11-3-6-16(7-4-11)5-2-8-18-9-12(13,14)15/h11H,2-9H2,1H3
InChIKeyKZZKZOJYLACTDS-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.26
Rot. Bonds6

About 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone

1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone (PubChem CID 63845640) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone
PubChem CID63845640
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-10(17)11-3-6-16(7-4-11)5-2-8-18-9-12(13,14)15/h11H,2-9H2,1H3
InChIKeyKZZKZOJYLACTDS-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]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-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone (CID 63845640) is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone is CC(=O)C1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone?
The InChIKey is KZZKZOJYLACTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-10(17)11-3-6-16(7-4-11)5-2-8-18-9-12(13,14)15/h11H,2-9H2,1H3.
What are the key properties of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone?
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone has a molecular weight of 267.29 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 63845640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).