Home > Compound List > Compound details
82625-37-4 molecular structure
click picture or here to close

2-[2-(4-methylpiperazin-1-yl)ethoxy]benzaldehyde

ChemBase ID: 18751
Molecular Formular: C14H20N2O2
Molecular Mass: 248.3208
Monoisotopic Mass: 248.15247789
SMILES and InChIs

SMILES:
N1(CCN(CC1)C)CCOc1c(C=O)cccc1
Canonical SMILES:
O=Cc1ccccc1OCCN1CCN(CC1)C
InChI:
InChI=1S/C14H20N2O2/c1-15-6-8-16(9-7-15)10-11-18-14-5-3-2-4-13(14)12-17/h2-5,12H,6-11H2,1H3
InChIKey:
LPKVLSKAKVNXOV-UHFFFAOYSA-N

Cite this record

CBID:18751 http://www.chembase.cn/molecule-18751.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(4-methylpiperazin-1-yl)ethoxy]benzaldehyde
IUPAC Traditional name
2-[2-(4-methylpiperazin-1-yl)ethoxy]benzaldehyde
Synonyms
2-[2-(4-methyl-1-piperazinyl)ethoxy]benzaldehyde
2-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-benzaldehyde
CAS Number
82625-37-4
MDL Number
MFCD08146602
PubChem SID
160982058
PubChem CID
6504233

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6504233 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5840596  LogD (pH = 7.4) 1.0476122 
Log P 1.393841  Molar Refractivity 73.1744 cm3
Polarizability 28.115475 Å3 Polar Surface Area 32.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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