1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one

C15H18FNO2 — CID 115269480

IUPAC1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one
SMILESCC1(C)CCC(=O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C15H18FNO2/c1-15(2)8-7-12(18)10-17(15)14(19)9-11-5-3-4-6-13(11)16/h3-6H,7-10H2,1-2H3
InChIKeyDDYWNKAICAKFIU-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.34
Rot. Bonds2

About 1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one

1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one (PubChem CID 115269480) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one
PubChem CID115269480
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one
SMILESCC1(C)CCC(=O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C15H18FNO2/c1-15(2)8-7-12(18)10-17(15)14(19)9-11-5-3-4-6-13(11)16/h3-6H,7-10H2,1-2H3
InChIKeyDDYWNKAICAKFIU-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one
CID 115269472
2-(2-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269420
1-butanoyl-6,6-dimethylpiperidin-3-one
CID 115269445
1-[2-(2,4-difluorophenyl)acetyl]-5,5-dimethylpyrrolidin-3-one
CID 115275550
6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115276324
2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304559
1-[2-(2-fluorophenyl)acetyl]-4-methylpiperidine-4-carbothioamide
CID 107161132
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 110740675
1-(4-ethylbenzoyl)-6,6-dimethylpiperidin-3-one
CID 115276264
6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-one
CID 115276298
1-[(2R,3aR,4R,5S,8aR)-4,5-dihydroxy-3a-methyl-2-phenyl-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-1-yl]-2-(2-fluorophenyl)ethanone
CID 110153452
2-(2-fluorophenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 112534302

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one?
The IUPAC name of 1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one (CID 115269480) is 1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one.
What is the SMILES notation for 1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one?
The canonical SMILES for 1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one is CC1(C)CCC(=O)CN1C(=O)Cc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one?
The InChIKey is DDYWNKAICAKFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-15(2)8-7-12(18)10-17(15)14(19)9-11-5-3-4-6-13(11)16/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one?
1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one has a molecular weight of 263.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one is sourced from PubChem (CID 115269480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).