1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one

C15H19NO2 — CID 117020066

IUPAC1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one
SMILESCC(=O)c1ccc(N2CCC(=O)CC2(C)C)cc1
InChIInChI=1S/C15H19NO2/c1-11(17)12-4-6-13(7-5-12)16-9-8-14(18)10-15(16,2)3/h4-7H,8-10H2,1-3H3
InChIKeyPTJKXIPYWOKHDE-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.84
Rot. Bonds2

About 1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one

1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one (PubChem CID 117020066) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one
PubChem CID117020066
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one
SMILESCC(=O)c1ccc(N2CCC(=O)CC2(C)C)cc1
InChIInChI=1S/C15H19NO2/c1-11(17)12-4-6-13(7-5-12)16-9-8-14(18)10-15(16,2)3/h4-7H,8-10H2,1-3H3
InChIKeyPTJKXIPYWOKHDE-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone
CID 63158758
1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone
CID 117019745
1-(4-acetylphenyl)pyrrolidine-2,3-dione
CID 117013828
4-(2,2-dimethylpyrrolidin-1-yl)benzoic acid
CID 63219460
1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
CID 63158711
1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
CID 63158848
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-propanoylphenyl)piperidin-4-one
CID 83779934
(1S,2R,6R,7S)-4-(4-acetylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 99719477
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one?
The IUPAC name of 1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one (CID 117020066) is 1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one.
What is the SMILES notation for 1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one?
The canonical SMILES for 1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one is CC(=O)c1ccc(N2CCC(=O)CC2(C)C)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one?
The InChIKey is PTJKXIPYWOKHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(17)12-4-6-13(7-5-12)16-9-8-14(18)10-15(16,2)3/h4-7H,8-10H2,1-3H3.
What are the key properties of 1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one?
1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one has a molecular weight of 245.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one is sourced from PubChem (CID 117020066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).