2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one

C17H25NO2 — CID 111824454

IUPAC2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCCc1ccc(C(C)(C)C(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C17H25NO2/c1-4-13-7-9-14(10-8-13)17(2,3)16(20)18-11-5-6-15(19)12-18/h7-10,15,19H,4-6,11-12H2,1-3H3
InChIKeyISTWUGIPKNZRAW-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.51
Rot. Bonds3

About 2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one

2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 111824454) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
PubChem CID111824454
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCCc1ccc(C(C)(C)C(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C17H25NO2/c1-4-13-7-9-14(10-8-13)17(2,3)16(20)18-11-5-6-15(19)12-18/h7-10,15,19H,4-6,11-12H2,1-3H3
InChIKeyISTWUGIPKNZRAW-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one
CID 119374869
2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578542
2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one
CID 80556941
1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 62677876
2-[1-[2-(4-ethylphenyl)-2-methylpropanoyl]piperidin-4-yl]acetic acid
CID 120684662
4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 119358140
1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 107224185
1-[(3aS,6aR)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]-2-(4-ethylphenyl)-2-methylpropan-1-one
CID 136587230
2-fluoro-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 126972948
2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 61264597
1-[2-[[2-(4-ethylphenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689268
2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 107217079

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one (CID 111824454) is 2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one is CCc1ccc(C(C)(C)C(=O)N2CCCC(O)C2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is ISTWUGIPKNZRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-13-7-9-14(10-8-13)17(2,3)16(20)18-11-5-6-15(19)12-18/h7-10,15,19H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 111824454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).