2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C13H20F4N2O — CID 103733241

IUPAC2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESO=C(N1CCC(N2CCCCC2)CC1)C(F)(F)C(F)F
InChIInChI=1S/C13H20F4N2O/c14-11(15)13(16,17)12(20)19-8-4-10(5-9-19)18-6-2-1-3-7-18/h10-11H,1-9H2
InChIKeyICJKGTBYPTUFLY-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.36
Rot. Bonds3

About 2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 103733241) has the molecular formula C13H20F4N2O and a molecular weight of 296.31 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID103733241
Molecular FormulaC13H20F4N2O
Molecular Weight296.31 g/mol
Exact Mass296.15
IUPAC Name2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESO=C(N1CCC(N2CCCCC2)CC1)C(F)(F)C(F)F
InChIInChI=1S/C13H20F4N2O/c14-11(15)13(16,17)12(20)19-8-4-10(5-9-19)18-6-2-1-3-7-18/h10-11H,1-9H2
InChIKeyICJKGTBYPTUFLY-UHFFFAOYSA-N
XLogP2.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)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

Related Compounds

1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 113250977
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 24744899
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid
CID 103803979
2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 61264661
1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile
CID 103733367
1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid
CID 71116090
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103750070
4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115583954
2,2,3,3-tetrafluoro-1-morpholin-4-ylpropan-1-one
CID 3621669
2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 103747253
N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide
CID 103801707

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (CID 103733241) is 2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is O=C(N1CCC(N2CCCCC2)CC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is ICJKGTBYPTUFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F4N2O/c14-11(15)13(16,17)12(20)19-8-4-10(5-9-19)18-6-2-1-3-7-18/h10-11H,1-9H2.
What are the key properties of 2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 296.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 103733241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).