4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one

C12H17N3O2 — CID 117342549

IUPAC4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2ccc(CON)cc2)CC1=O
InChIInChI=1S/C12H17N3O2/c1-14-6-7-15(8-12(14)16)11-4-2-10(3-5-11)9-17-13/h2-5H,6-9,13H2,1H3
InChIKeyHEVIFJLHJAWLDG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.36
Rot. Bonds3

About 4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one

4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one (PubChem CID 117342549) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one
PubChem CID117342549
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2ccc(CON)cc2)CC1=O
InChIInChI=1S/C12H17N3O2/c1-14-6-7-15(8-12(14)16)11-4-2-10(3-5-11)9-17-13/h2-5H,6-9,13H2,1H3
InChIKeyHEVIFJLHJAWLDG-UHFFFAOYSA-N
XLogP0.36
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one
CID 171624506
4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one
CID 117340746
3-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]propanal
CID 117368103
1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one
CID 117371591
4-[4-[(1S)-1-aminoethyl]phenyl]-1-methylpiperazin-2-one
CID 78997047
4-[4-(1-aminoethyl)phenyl]-1-methylpiperazin-2-one
CID 64693857
4-(4-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 64681400
N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide
CID 130280941
4-(4-amino-3-propoxyphenyl)-1-methylpiperazin-2-one
CID 64682580
3-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]butanal
CID 117405171
4-[3-(aminooxymethyl)phenyl]-1-methylpiperazine-2,6-dione
CID 117375787
4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one
CID 117005230

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one (CID 117342549) is 4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one is CN1CCN(c2ccc(CON)cc2)CC1=O.
What is the InChIKey of 4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one?
The InChIKey is HEVIFJLHJAWLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-6-7-15(8-12(14)16)11-4-2-10(3-5-11)9-17-13/h2-5H,6-9,13H2,1H3.
What are the key properties of 4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one?
4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 117342549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).