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184970-32-9 molecular structure
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1-(pyrrolidin-3-yl)piperidine

ChemBase ID: 270059
Molecular Formular: C9H18N2
Molecular Mass: 154.25262
Monoisotopic Mass: 154.14699859
SMILES and InChIs

SMILES:
N1(C2CCNC2)CCCCC1
Canonical SMILES:
C1CCN(CC1)C1CNCC1
InChI:
InChI=1S/C9H18N2/c1-2-6-11(7-3-1)9-4-5-10-8-9/h9-10H,1-8H2
InChIKey:
BTZQCTWJDFNRMS-UHFFFAOYSA-N

Cite this record

CBID:270059 http://www.chembase.cn/molecule-270059.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyrrolidin-3-yl)piperidine
IUPAC Traditional name
1-(pyrrolidin-3-yl)piperidine
Synonyms
1-(pyrrolidin-3-yl)piperidine
1-(3-pyrrolidinyl)piperidine
CAS Number
184970-32-9
MDL Number
MFCD06740691
PubChem SID
164325969
PubChem CID
23009617

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23009617 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.0637782  LogD (pH = 7.4) -2.400741 
Log P 0.62433404  Molar Refractivity 47.4211 cm3
Polarizability 18.918522 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.574 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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