1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone

C14H14F3NO2 — CID 2740742

IUPAC1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)13(20)18-8-6-11(7-9-18)12(19)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyUPPIHSRTATYQHY-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.67
Rot. Bonds2

About 1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone

1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 2740742) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID2740742
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)13(20)18-8-6-11(7-9-18)12(19)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyUPPIHSRTATYQHY-UHFFFAOYSA-N
XLogP2.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone 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-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone (CID 2740742) is 1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone is O=C(c1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is UPPIHSRTATYQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c15-14(16,17)13(20)18-8-6-11(7-9-18)12(19)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 285.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 2740742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).