1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione

C18H25NO2 — CID 110295013

IUPAC1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione
SMILESCCC1CCCCN1C(=O)CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H25NO2/c1-3-16-6-4-5-13-19(16)18(21)12-11-17(20)15-9-7-14(2)8-10-15/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyFIMYRLBOBYZSIN-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.75
Rot. Bonds5

About 1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione

1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione (PubChem CID 110295013) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione
PubChem CID110295013
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione
SMILESCCC1CCCCN1C(=O)CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H25NO2/c1-3-16-6-4-5-13-19(16)18(21)12-11-17(20)15-9-7-14(2)8-10-15/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyFIMYRLBOBYZSIN-UHFFFAOYSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-4-(2-ethylpyrrolidin-1-yl)butane-1,4-dione
CID 110619138
1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one
CID 109019962
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113124001
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione;hydrochloride
CID 119468463
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(4-ethylphenyl)butane-1,4-dione
CID 119632096
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
1-(azepan-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 2097562
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167733
2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112977889
1-(4-methylphenyl)-4-(2-pyridin-4-ylpyrrolidin-1-yl)butane-1,4-dione
CID 86920444

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione (CID 110295013) is 1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione is CCC1CCCCN1C(=O)CCC(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione?
The InChIKey is FIMYRLBOBYZSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-16-6-4-5-13-19(16)18(21)12-11-17(20)15-9-7-14(2)8-10-15/h7-10,16H,3-6,11-13H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione?
1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione has a molecular weight of 287.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione is sourced from PubChem (CID 110295013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).