1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone

C17H25NO — CID 114425722

IUPAC1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
SMILESCCc1ccc(C(=O)CC2CC(CC)CCN2)cc1
InChIInChI=1S/C17H25NO/c1-3-13-5-7-15(8-6-13)17(19)12-16-11-14(4-2)9-10-18-16/h5-8,14,16,18H,3-4,9-12H2,1-2H3
InChIKeyTVCJCZXKBOGAKS-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.60
Rot. Bonds5

About 1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone

1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone (PubChem CID 114425722) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
PubChem CID114425722
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
SMILESCCc1ccc(C(=O)CC2CC(CC)CCN2)cc1
InChIInChI=1S/C17H25NO/c1-3-13-5-7-15(8-6-13)17(19)12-16-11-14(4-2)9-10-18-16/h5-8,14,16,18H,3-4,9-12H2,1-2H3
InChIKeyTVCJCZXKBOGAKS-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone
CID 114425730
1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425688
2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone
CID 114425650
2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone
CID 114425653
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
3-[2-(4-ethylpiperidin-2-yl)acetyl]benzonitrile
CID 114425849
2-(4-ethylpiperidin-2-yl)-1-(3-nitrophenyl)ethanone
CID 114425770
1-(5-bromo-1-benzofuran-2-yl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425694
1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425879
1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563790
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 116685051
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425842

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone (CID 114425722) is 1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone is CCc1ccc(C(=O)CC2CC(CC)CCN2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone?
The InChIKey is TVCJCZXKBOGAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-13-5-7-15(8-6-13)17(19)12-16-11-14(4-2)9-10-18-16/h5-8,14,16,18H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone?
1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone has a molecular weight of 259.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone is sourced from PubChem (CID 114425722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).