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165377-43-5 molecular structure
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1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine

ChemBase ID: 129350
Molecular Formular: C23H32N2O2
Molecular Mass: 368.51238
Monoisotopic Mass: 368.24637827
SMILES and InChIs

SMILES:
COc1c(OC)cc(CCN2CCN(CCCc3ccccc3)CC2)cc1
Canonical SMILES:
COc1cc(CCN2CCN(CC2)CCCc2ccccc2)ccc1OC
InChI:
InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
InChIKey:
UVSWWUWQVAQPJR-UHFFFAOYSA-N

Cite this record

CBID:129350 http://www.chembase.cn/molecule-129350.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine
IUPAC Traditional name
cutamesine
Synonyms
SA-4503
CAS Number
165377-43-5
PubChem SID
162223644
PubChem CID
9954941
9907323
Wikipedia Title
SA-4503

DATA SOURCES

DATA SOURCES

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1473261  LogD (pH = 7.4) 2.8453698 
Log P 4.192784  Molar Refractivity 112.3008 cm3
Polarizability 43.736404 Å3 Polar Surface Area 24.94 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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