2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone

C7H13NO3 — CID 6480491

IUPAC2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CO)N1CCCC(O)C1
InChIInChI=1S/C7H13NO3/c9-5-7(11)8-3-1-2-6(10)4-8/h6,9-10H,1-5H2
InChIKeyVAAOTOCUFUAGJA-UHFFFAOYSA-N
MW159.18 g/mol
LogP-1.04
Rot. Bonds1

About 2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone

2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 6480491) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID6480491
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CO)N1CCCC(O)C1
InChIInChI=1S/C7H13NO3/c9-5-7(11)8-3-1-2-6(10)4-8/h6,9-10H,1-5H2
InChIKeyVAAOTOCUFUAGJA-UHFFFAOYSA-N
XLogP-1.04
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxo-2-(1-piperidinyl)ethanol
CID 6480489
5-Hydroxy-1-methylpiperidin-2-one
CID 58763646
2-Hydroxy-1-(4-hydroxy-1-piperidyl)ethanone
CID 6480490
3-Hydroxy-1-methylpiperidin-2-one
CID 14456894
1-(3-Hydroxypiperidin-1-yl)ethan-1-one
CID 21897030
2-Hydroxy-1-(piperidin-1-yl)propan-1-one
CID 249284
2,2,2-trifluoro-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 93426876
1-(4,4-Difluoro-3-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 129968657
(2S)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 15681250
Dihydroxypiperidinone
CID 129663947
2,2,2-Trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone
CID 58992584
2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 93426877

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone (CID 6480491) is 2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone is O=C(CO)N1CCCC(O)C1.
What is the InChIKey of 2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is VAAOTOCUFUAGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-5-7(11)8-3-1-2-6(10)4-8/h6,9-10H,1-5H2.
What are the key properties of 2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone?
2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 159.18 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 6480491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).