1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone

C9H17NO2 — CID 121227478

IUPAC1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(O)CC(C)NCC1C
InChIInChI=1S/C9H17NO2/c1-6-5-10-7(2)4-9(6,12)8(3)11/h6-7,10,12H,4-5H2,1-3H3
InChIKeyINWCPAGPRBZYSH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.32
Rot. Bonds1

About 1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone

1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone (PubChem CID 121227478) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone
PubChem CID121227478
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(O)CC(C)NCC1C
InChIInChI=1S/C9H17NO2/c1-6-5-10-7(2)4-9(6,12)8(3)11/h6-7,10,12H,4-5H2,1-3H3
InChIKeyINWCPAGPRBZYSH-UHFFFAOYSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
CID 171582069
(2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol
CID 100815418
N-[(2R)-1-acetyl-2-methylcyclopropyl]acetamide
CID 143744019
1-(1-amino-2-methylcyclopropyl)ethanone
CID 22091718
tris(2-methylaziridine);propanoic acid
CID 175600727
2,5-dimethylpiperazine;methanethiol
CID 170737896
2-methylcyclopropane-1,1-diol
CID 68932442
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025
N-[(4-hydroxy-4,6-dimethylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343537
1-(2,5-dimethylpiperazin-1-yl)ethanone
CID 20691603
(3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid
CID 15235153
1-(5-methylpyrrolidin-3-yl)ethanone;propane
CID 142600137

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone (CID 121227478) is 1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone is CC(=O)C1(O)CC(C)NCC1C.
What is the InChIKey of 1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone?
The InChIKey is INWCPAGPRBZYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-5-10-7(2)4-9(6,12)8(3)11/h6-7,10,12H,4-5H2,1-3H3.
What are the key properties of 1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone?
1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone has a molecular weight of 171.24 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 121227478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).