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MFCD08002294 molecular structure
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N-[2-(dimethylamino)ethyl]-2-(piperazin-1-yl)acetamide

ChemBase ID: 35436
Molecular Formular: C10H22N4O
Molecular Mass: 214.30788
Monoisotopic Mass: 214.17936134
SMILES and InChIs

SMILES:
N1(CC(=O)NCCN(C)C)CCNCC1
Canonical SMILES:
CN(CCNC(=O)CN1CCNCC1)C
InChI:
InChI=1S/C10H22N4O/c1-13(2)6-5-12-10(15)9-14-7-3-11-4-8-14/h11H,3-9H2,1-2H3,(H,12,15)
InChIKey:
CCNQJRWGVWUMCY-UHFFFAOYSA-N

Cite this record

CBID:35436 http://www.chembase.cn/molecule-35436.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(dimethylamino)ethyl]-2-(piperazin-1-yl)acetamide
IUPAC Traditional name
N-[2-(dimethylamino)ethyl]-2-(piperazin-1-yl)acetamide
Synonyms
N-(2-(dimethylamino)ethyl)-2-(piperazin-1-yl)acetamide
N-[2-(Dimethylamino)ethyl]-2-piperazin-1-ylacetamide
MDL Number
MFCD08002294
PubChem SID
160998743
PubChem CID
8022549

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 8022549 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.990428  H Acceptors
H Donor LogD (pH = 5.5) -7.345911 
LogD (pH = 7.4) -4.095679  Log P -1.4323976 
Molar Refractivity 61.5661 cm3 Polarizability 24.207415 Å3
Polar Surface Area 47.61 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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