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MFCD09042578 molecular structure
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1-(piperazin-1-yl)-2-(pyrrolidin-1-yl)ethan-1-one

ChemBase ID: 270226
Molecular Formular: C10H19N3O
Molecular Mass: 197.27736
Monoisotopic Mass: 197.15281224
SMILES and InChIs

SMILES:
C(=O)(N1CCNCC1)CN1CCCC1
Canonical SMILES:
O=C(N1CCNCC1)CN1CCCC1
InChI:
InChI=1S/C10H19N3O/c14-10(9-12-5-1-2-6-12)13-7-3-11-4-8-13/h11H,1-9H2
InChIKey:
JSXNAFSAVGIEML-UHFFFAOYSA-N

Cite this record

CBID:270226 http://www.chembase.cn/molecule-270226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(piperazin-1-yl)-2-(pyrrolidin-1-yl)ethan-1-one
IUPAC Traditional name
1-(piperazin-1-yl)-2-(pyrrolidin-1-yl)ethanone
Synonyms
1-(piperazin-1-yl)-2-(pyrrolidin-1-yl)ethan-1-one
MDL Number
MFCD09042578
PubChem SID
164326136
PubChem CID
13057079

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68993 external link Add to cart Please log in.
Data Source Data ID
PubChem 13057079 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.587051  LogD (pH = 7.4) -2.1064289 
Log P -0.8215686  Molar Refractivity 55.9847 cm3
Polarizability 21.952879 Å3 Polar Surface Area 35.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.628 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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