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MFCD08442566 molecular structure
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1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one

ChemBase ID: 270644
Molecular Formular: C11H21N3O2
Molecular Mass: 227.30334
Monoisotopic Mass: 227.16337693
SMILES and InChIs

SMILES:
C(=O)(N1CCOCC1)C(N1CCNCC1)C
Canonical SMILES:
CC(C(=O)N1CCOCC1)N1CCNCC1
InChI:
InChI=1S/C11H21N3O2/c1-10(13-4-2-12-3-5-13)11(15)14-6-8-16-9-7-14/h10,12H,2-9H2,1H3
InChIKey:
NQNOAAWEKHQJFV-UHFFFAOYSA-N

Cite this record

CBID:270644 http://www.chembase.cn/molecule-270644.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one
IUPAC Traditional name
1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one
Synonyms
1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one
MDL Number
MFCD08442566
PubChem SID
164326554
PubChem CID
16769381

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69652 external link Add to cart Please log in.
Data Source Data ID
PubChem 16769381 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.9100568  LogD (pH = 7.4) -2.4067147 
Log P -0.87710226  Molar Refractivity 62.0121 cm3
Polarizability 24.498173 Å3 Polar Surface Area 44.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.911 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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