2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone

C17H24FNO — CID 114350405

IUPAC2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2ccc(F)cc2C)CCCNC1
InChIInChI=1S/C17H24FNO/c1-3-7-17(8-4-9-19-12-17)16(20)11-14-5-6-15(18)10-13(14)2/h5-6,10,19H,3-4,7-9,11-12H2,1-2H3
InChIKeyWLSWTIKKWLBWQR-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone

2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone (PubChem CID 114350405) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
PubChem CID114350405
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2ccc(F)cc2C)CCCNC1
InChIInChI=1S/C17H24FNO/c1-3-7-17(8-4-9-19-12-17)16(20)11-14-5-6-15(18)10-13(14)2/h5-6,10,19H,3-4,7-9,11-12H2,1-2H3
InChIKeyWLSWTIKKWLBWQR-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-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

Related Compounds

2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569699
1-[1-(aminomethyl)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350494
2-(3-chloro-2-fluorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 102865090
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569789
(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 59744658
[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 114349812
ethyl (3S)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 95207559
2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570337
1-[1-(dimethylamino)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347290
(2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 106883026
1-[1-(dimethylamino)cycloheptyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347296

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone (CID 114350405) is 2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone is CCCC1(C(=O)Cc2ccc(F)cc2C)CCCNC1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone?
The InChIKey is WLSWTIKKWLBWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-3-7-17(8-4-9-19-12-17)16(20)11-14-5-6-15(18)10-13(14)2/h5-6,10,19H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone?
2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone has a molecular weight of 277.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone is sourced from PubChem (CID 114350405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).