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MFCD00910006 molecular structure
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octahydro-1H-pyrido[1,2-a]piperazin-1-one

ChemBase ID: 270784
Molecular Formular: C8H14N2O
Molecular Mass: 154.20956
Monoisotopic Mass: 154.11061308
SMILES and InChIs

SMILES:
C1(=O)C2N(CCN1)CCCC2
Canonical SMILES:
O=C1NCCN2C1CCCC2
InChI:
InChI=1S/C8H14N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h7H,1-6H2,(H,9,11)
InChIKey:
AGBUHYGWJRLISC-UHFFFAOYSA-N

Cite this record

CBID:270784 http://www.chembase.cn/molecule-270784.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octahydro-1H-pyrido[1,2-a]piperazin-1-one
IUPAC Traditional name
octahydropyrido[1,2-a]piperazin-1-one
Synonyms
octahydro-1H-pyrido[1,2-a]piperazin-1-one
MDL Number
MFCD00910006
PubChem SID
164326694
PubChem CID
204214

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69882 external link Add to cart Please log in.
Data Source Data ID
PubChem 204214 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.497362  H Acceptors
H Donor LogD (pH = 5.5) -1.912026 
LogD (pH = 7.4) -0.32163388  Log P -0.024316298 
Molar Refractivity 42.7099 cm3 Polarizability 16.74643 Å3
Polar Surface Area 32.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
134 - 136°C expand Show data source
Hydrophobicity(logP)
0.673 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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