Home > Compound List > Compound details
215649-80-2 molecular structure
click picture or here to close

1-(3-methoxyphenyl)piperazin-2-one

ChemBase ID: 306766
Molecular Formular: C11H14N2O2
Molecular Mass: 206.24106
Monoisotopic Mass: 206.1055277
SMILES and InChIs

SMILES:
N1(C(=O)CNCC1)c1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)N1CCNCC1=O
InChI:
InChI=1S/C11H14N2O2/c1-15-10-4-2-3-9(7-10)13-6-5-12-8-11(13)14/h2-4,7,12H,5-6,8H2,1H3
InChIKey:
WCEDGEVVWJYROP-UHFFFAOYSA-N

Cite this record

CBID:306766 http://www.chembase.cn/molecule-306766.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-methoxyphenyl)piperazin-2-one
IUPAC Traditional name
1-(3-methoxyphenyl)piperazin-2-one
Synonyms
1-(3-methoxyphenyl)piperazin-2-one
CAS Number
215649-80-2
MDL Number
MFCD07373439

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9608675  LogD (pH = 7.4) 0.17664558 
Log P 0.2542766  Molar Refractivity 56.6654 cm3
Polarizability 22.206104 Å3 Polar Surface Area 41.57 Å2
Acid pKa 17.62242  Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle