2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone

C15H21FN2O — CID 115304559

IUPAC2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1(C)CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-15(17-2)7-9-18(10-8-15)14(19)11-12-5-3-4-6-13(12)16/h3-6,17H,7-11H2,1-2H3
InChIKeyGSLWMGBQXJXLGL-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.97
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone (PubChem CID 115304559) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
PubChem CID115304559
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1(C)CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-15(17-2)7-9-18(10-8-15)14(19)11-12-5-3-4-6-13(12)16/h3-6,17H,7-11H2,1-2H3
InChIKeyGSLWMGBQXJXLGL-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 115304493
1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide
CID 107161132
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119754849
N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305042
2-(2-fluorophenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 112534302
2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 118398594
2-(2-fluorophenyl)-1-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]ethanone
CID 95715359
2-(2-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203853
2-(3-chlorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304338
1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone
CID 163305287
2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 95807061

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone (CID 115304559) is 2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone is CNC1(C)CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is GSLWMGBQXJXLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-15(17-2)7-9-18(10-8-15)14(19)11-12-5-3-4-6-13(12)16/h3-6,17H,7-11H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 264.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 115304559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).