2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone

C8H16N2O2 — CID 83967675

IUPAC2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CON)CC1
InChIInChI=1S/C8H16N2O2/c1-7-2-4-10(5-3-7)8(11)6-12-9/h7H,2-6,9H2,1H3
InChIKeyUAFSMGZMFLRYAJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.14
Rot. Bonds2

About 2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone

2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 83967675) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID83967675
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CON)CC1
InChIInChI=1S/C8H16N2O2/c1-7-2-4-10(5-3-7)8(11)6-12-9/h7H,2-6,9H2,1H3
InChIKeyUAFSMGZMFLRYAJ-UHFFFAOYSA-N
XLogP0.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
2-(methoxymethoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 143192763
2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 82353212
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552
2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 71196964
2-ethoxy-1-(4-methylazepan-1-yl)ethanone
CID 62046305
2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 166537028
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 55319161
1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605170

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone (CID 83967675) is 2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CON)CC1.
What is the InChIKey of 2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is UAFSMGZMFLRYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7-2-4-10(5-3-7)8(11)6-12-9/h7H,2-6,9H2,1H3.
What are the key properties of 2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone?
2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 172.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 83967675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).