1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone

C17H25NO2 — CID 98019528

IUPAC1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
SMILESCc1cc(C)c(C)c(CC(=O)N2CCC(O)CC2)c1C
InChIInChI=1S/C17H25NO2/c1-11-9-12(2)14(4)16(13(11)3)10-17(20)18-7-5-15(19)6-8-18/h9,15,19H,5-8,10H2,1-4H3
InChIKeyVTQGHNMPXCXGMN-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.45
Rot. Bonds2

About 1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone

1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone (PubChem CID 98019528) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
PubChem CID98019528
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
SMILESCc1cc(C)c(C)c(CC(=O)N2CCC(O)CC2)c1C
InChIInChI=1S/C17H25NO2/c1-11-9-12(2)14(4)16(13(11)3)10-17(20)18-7-5-15(19)6-8-18/h9,15,19H,5-8,10H2,1-4H3
InChIKeyVTQGHNMPXCXGMN-UHFFFAOYSA-N
XLogP2.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone
CID 82485265
1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 110768031
1-(1,4-diazepan-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 94698726
5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110814418
1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 110815666
1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 110804913
N-propyl-4-[2-(2,3,5,6-tetramethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813853
2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98021084
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116
4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 98019491
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxyazepan-1-yl)ethanone
CID 131889726
2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone (CID 98019528) is 1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone is Cc1cc(C)c(C)c(CC(=O)N2CCC(O)CC2)c1C.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone?
The InChIKey is VTQGHNMPXCXGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11-9-12(2)14(4)16(13(11)3)10-17(20)18-7-5-15(19)6-8-18/h9,15,19H,5-8,10H2,1-4H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone?
1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone is sourced from PubChem (CID 98019528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).