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143924-45-2 molecular structure
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2-(piperidin-4-yl)pyridine dihydrochloride

ChemBase ID: 51514
Molecular Formular: C10H16Cl2N2
Molecular Mass: 235.15344
Monoisotopic Mass: 234.06905388
SMILES and InChIs

SMILES:
n1c(C2CCNCC2)cccc1.Cl.Cl
Canonical SMILES:
N1CCC(CC1)c1ccccn1.Cl.Cl
InChI:
InChI=1S/C10H14N2.2ClH/c1-2-6-12-10(3-1)9-4-7-11-8-5-9;;/h1-3,6,9,11H,4-5,7-8H2;2*1H
InChIKey:
NXCFRWODOJQICL-UHFFFAOYSA-N

Cite this record

CBID:51514 http://www.chembase.cn/molecule-51514.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(piperidin-4-yl)pyridine dihydrochloride
IUPAC Traditional name
2-(piperidin-4-yl)pyridine dihydrochloride
Synonyms
2-(1 Lamda{2}-piperidin-4-yl)pyridin-4-yl dihydrochloride
2-(Piperidin-4-yl)pyridine dihydrochloride
CAS Number
143924-45-2
MDL Number
MFCD14583122
PubChem SID
162056277
PubChem CID
16094714

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16094714 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2316983  LogD (pH = 7.4) -1.5003276 
Log P 0.99052143  Molar Refractivity 48.9242 cm3
Polarizability 19.37373 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
258 - 261 °C expand Show data source
258-261°C expand Show data source
Storage Condition
Store under N2 expand Show data source
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
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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