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162103611 molecular structure
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N-(4-methoxyphenyl)-2-(piperazin-1-yl)acetamide dihydrochloride

ChemBase ID: 71469
Molecular Formular: C13H21Cl2N3O2
Molecular Mass: 322.23074
Monoisotopic Mass: 321.10108229
SMILES and InChIs

SMILES:
C(=O)(Nc1ccc(cc1)OC)CN1CCNCC1.Cl.Cl
Canonical SMILES:
COc1ccc(cc1)NC(=O)CN1CCNCC1.Cl.Cl
InChI:
InChI=1S/C13H19N3O2.2ClH/c1-18-12-4-2-11(3-5-12)15-13(17)10-16-8-6-14-7-9-16;;/h2-5,14H,6-10H2,1H3,(H,15,17);2*1H
InChIKey:
OKNBNFVAQWYLKA-UHFFFAOYSA-N

Cite this record

CBID:71469 http://www.chembase.cn/molecule-71469.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-methoxyphenyl)-2-(piperazin-1-yl)acetamide dihydrochloride
IUPAC Traditional name
N-(4-methoxyphenyl)-2-(piperazin-1-yl)acetamide dihydrochloride
Synonyms
N-(4-Methoxyphenyl)-2-piperazin-1-ylacetamide dihydrochloride
PubChem SID
162103611
PubChem CID
71299892

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 71299892 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.988267  H Acceptors
H Donor LogD (pH = 5.5) -2.6115985 
LogD (pH = 7.4) -1.1106465  Log P 0.40885505 
Molar Refractivity 71.5686 cm3 Polarizability 27.414371 Å3
Polar Surface Area 53.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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