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73331-93-8 molecular structure
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1-(pyrrolidine-1-carbonyl)piperazine

ChemBase ID: 74379
Molecular Formular: C9H17N3O
Molecular Mass: 183.25078
Monoisotopic Mass: 183.13716218
SMILES and InChIs

SMILES:
N1CCN(C(=O)N2CCCC2)CC1
Canonical SMILES:
O=C(N1CCCC1)N1CCNCC1
InChI:
InChI=1S/C9H17N3O/c13-9(11-5-1-2-6-11)12-7-3-10-4-8-12/h10H,1-8H2
InChIKey:
YKELOMQESZMHBK-UHFFFAOYSA-N

Cite this record

CBID:74379 http://www.chembase.cn/molecule-74379.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyrrolidine-1-carbonyl)piperazine
IUPAC Traditional name
1-(pyrrolidine-1-carbonyl)piperazine
Synonyms
1-[(Piperazin-1-yl)carbonyl]pyrrolidine
1-[(Pyrrolidin-1-yl)carbonyl]piperazine
(Piperazin-1-yl)(pyrrolidin-1-yl)methanone
CAS Number
73331-93-8
MDL Number
MFCD03844724
PubChem SID
162039298
PubChem CID
2760443

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2760443 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8705256  LogD (pH = 7.4) -1.1571472 
Log P -0.5992605  Molar Refractivity 51.0258 cm3
Polarizability 19.729588 Å3 Polar Surface Area 35.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
106°C/0.015mm expand Show data source
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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