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93643-24-4 molecular structure
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(8aR)-octahydropyrrolo[1,2-a]piperazine

ChemBase ID: 804986
Molecular Formular: C7H14N2
Molecular Mass: 126.19946
Monoisotopic Mass: 126.11569846
SMILES and InChIs

SMILES:
N12CCNC[C@H]1CCC2
Canonical SMILES:
N1CCN2[C@@H](C1)CCC2
InChI:
InChI=1S/C7H14N2/c1-2-7-6-8-3-5-9(7)4-1/h7-8H,1-6H2/t7-/m1/s1
InChIKey:
FTTATHOUSOIFOQ-SSDOTTSWSA-N

Cite this record

CBID:804986 http://www.chembase.cn/molecule-804986.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(8aR)-octahydropyrrolo[1,2-a]piperazine
IUPAC Traditional name
(8aR)-octahydropyrrolo[1,2-a]piperazine
Synonyms
(R)-1,4-DIAZABICYCLO[4.3.0]NONANE
CAS Number
93643-24-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22242 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22242 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.3727372  LogD (pH = 7.4) -2.934824 
Log P 0.11980564  Molar Refractivity 37.9547 cm3
Polarizability 15.227027 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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