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82500-22-9 molecular structure
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1-(cyclopentylmethyl)piperazine

ChemBase ID: 51082
Molecular Formular: C10H20N2
Molecular Mass: 168.2792
Monoisotopic Mass: 168.16264865
SMILES and InChIs

SMILES:
N1(CC2CCCC2)CCNCC1
Canonical SMILES:
N1CCN(CC1)CC1CCCC1
InChI:
InChI=1S/C10H20N2/c1-2-4-10(3-1)9-12-7-5-11-6-8-12/h10-11H,1-9H2
InChIKey:
HDSJFNAPZZCQAT-UHFFFAOYSA-N

Cite this record

CBID:51082 http://www.chembase.cn/molecule-51082.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(cyclopentylmethyl)piperazine
IUPAC Traditional name
1-(cyclopentylmethyl)piperazine
Synonyms
1-(Cyclopentylmethyl)piperazine
CAS Number
82500-22-9
MDL Number
MFCD08677888
PubChem SID
162055845
PubChem CID
935661

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 935661 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0954316  LogD (pH = 7.4) -1.1956916 
Log P 1.3239557  Molar Refractivity 51.8875 cm3
Polarizability 20.7646 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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