1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone

C7H14N2O3 — CID 129267440

IUPAC1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone
SMILESNOC1CCN(C(=O)CO)CC1
InChIInChI=1S/C7H14N2O3/c8-12-6-1-3-9(4-2-6)7(11)5-10/h6,10H,1-5,8H2
InChIKeyJLRUSLWYZBPJHI-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.14
Rot. Bonds2

About 1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone

1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone (PubChem CID 129267440) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone
PubChem CID129267440
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone
SMILESNOC1CCN(C(=O)CO)CC1
InChIInChI=1S/C7H14N2O3/c8-12-6-1-3-9(4-2-6)7(11)5-10/h6,10H,1-5,8H2
InChIKeyJLRUSLWYZBPJHI-UHFFFAOYSA-N
XLogP-1.14
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone
CID 68628787
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
1-(4-aminopiperazin-1-yl)-2-hydroxyethanone
CID 123367646
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone
CID 83967675
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
1-(2-hydroxyacetyl)-N,N-dimethylpiperidine-4-carboxamide
CID 170068801
4-(2-morpholin-4-yl-2-oxoethoxy)piperidine-1-carboxylic acid
CID 123694815
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone (CID 129267440) is 1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone is NOC1CCN(C(=O)CO)CC1.
What is the InChIKey of 1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone?
The InChIKey is JLRUSLWYZBPJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-12-6-1-3-9(4-2-6)7(11)5-10/h6,10H,1-5,8H2.
What are the key properties of 1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone?
1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone has a molecular weight of 174.20 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 129267440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).