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531-67-9 molecular structure
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2-(piperidin-2-yl)piperidine

ChemBase ID: 287177
Molecular Formular: C10H20N2
Molecular Mass: 168.2792
Monoisotopic Mass: 168.16264865
SMILES and InChIs

SMILES:
C1(C2NCCCC2)NCCCC1
Canonical SMILES:
C1CCC(NC1)C1CCCCN1
InChI:
InChI=1S/C10H20N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h9-12H,1-8H2
InChIKey:
CLBJZAWCBRAMRZ-UHFFFAOYSA-N

Cite this record

CBID:287177 http://www.chembase.cn/molecule-287177.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(piperidin-2-yl)piperidine
IUPAC Traditional name
2-(piperidin-2-yl)piperidine
Synonyms
2-(Piperidin-2-yl)piperidine
CAS Number
531-67-9
PubChem SID
180672708
PubChem CID
415618

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 415618 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.6151426  LogD (pH = 7.4) -1.4780734 
Log P 1.2629845  Molar Refractivity 51.0422 cm3
Polarizability 20.7646 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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