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42457-10-3 molecular structure
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piperidine-2-carbonitrile

ChemBase ID: 165143
Molecular Formular: C6H10N2
Molecular Mass: 110.157
Monoisotopic Mass: 110.08439833
SMILES and InChIs

SMILES:
C1CNC(CC1)C#N
Canonical SMILES:
N#CC1CCCCN1
InChI:
InChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-4H2
InChIKey:
YAVXLTMRALFZIS-UHFFFAOYSA-N

Cite this record

CBID:165143 http://www.chembase.cn/molecule-165143.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
piperidine-2-carbonitrile
IUPAC Traditional name
piperidine-2-carbonitrile
Synonyms
2-Piperidinecarbonitrile
Pipecolonitrile
(±)-2-Piperidinecarbonitrile
2-Cyanopiperidine
2-Cyanopiperidine
Piperidine-2-carbonitrile
CAS Number
42457-10-3
PubChem SID
162259276
PubChem CID
155138

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 155138 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) -0.085559316  LogD (pH = 7.4) 0.39404657 
Log P 0.40537614  Molar Refractivity 31.6446 cm3
Polarizability 12.41968 Å3 Polar Surface Area 35.82 Å2

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Apperance
Colorless Oil expand Show data source
MSDS Link
Download expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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