1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one

C16H21NO2 — CID 82484142

IUPAC1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one
SMILESCc1ccc(C(=O)CCN2CCC(=O)CC2)c(C)c1
InChIInChI=1S/C16H21NO2/c1-12-3-4-15(13(2)11-12)16(19)7-10-17-8-5-14(18)6-9-17/h3-4,11H,5-10H2,1-2H3
InChIKeyAEQNUACKBWZFLM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.54
Rot. Bonds4

About 1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one

1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one (PubChem CID 82484142) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one
PubChem CID82484142
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one
SMILESCc1ccc(C(=O)CCN2CCC(=O)CC2)c(C)c1
InChIInChI=1S/C16H21NO2/c1-12-3-4-15(13(2)11-12)16(19)7-10-17-8-5-14(18)6-9-17/h3-4,11H,5-10H2,1-2H3
InChIKeyAEQNUACKBWZFLM-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
CID 45108470
1-(2,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050255
1-(2,4-dimethylbenzoyl)piperidin-4-one
CID 24709834
1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one
CID 10667020
1-(2-chloro-5-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050177
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-methylpiperidin-4-one
CID 114501233
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione
CID 62928779
3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propanoic acid
CID 136526221
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one?
The IUPAC name of 1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one (CID 82484142) is 1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one?
The canonical SMILES for 1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one is Cc1ccc(C(=O)CCN2CCC(=O)CC2)c(C)c1.
What is the InChIKey of 1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one?
The InChIKey is AEQNUACKBWZFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-3-4-15(13(2)11-12)16(19)7-10-17-8-5-14(18)6-9-17/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one?
1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one is sourced from PubChem (CID 82484142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).