2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone

C15H21FN2O — CID 43797315

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
SMILESCN(C)C1CCN(CC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-17(2)14-6-8-18(9-7-14)11-15(19)12-4-3-5-13(16)10-12/h3-5,10,14H,6-9,11H2,1-2H3
InChIKeyULYKHMCRPZLLPD-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.03
Rot. Bonds4

About 2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone

2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone (PubChem CID 43797315) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
PubChem CID43797315
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
SMILESCN(C)C1CCN(CC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-17(2)14-6-8-18(9-7-14)11-15(19)12-4-3-5-13(16)10-12/h3-5,10,14H,6-9,11H2,1-2H3
InChIKeyULYKHMCRPZLLPD-UHFFFAOYSA-N
XLogP2.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)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

1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024778
1-(3-fluorophenyl)-2-(4-methylsulfanylazepan-1-yl)ethanone
CID 114237539
1-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227335
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
CID 60681563
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083375
2-[4-(dimethylamino)piperidin-1-yl]-1-(4-nitrophenyl)ethanone
CID 43797267
2-[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(3-fluorophenyl)ethanone;benzene
CID 144818766
2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 43797318
4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one
CID 79468395
1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207392

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone (CID 43797315) is 2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone is CN(C)C1CCN(CC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone?
The InChIKey is ULYKHMCRPZLLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-17(2)14-6-8-18(9-7-14)11-15(19)12-4-3-5-13(16)10-12/h3-5,10,14H,6-9,11H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone?
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone has a molecular weight of 264.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 43797315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).