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216688-64-1 molecular structure
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2-(piperidin-4-yl)pyridine hydrochloride

ChemBase ID: 292854
Molecular Formular: C10H15ClN2
Molecular Mass: 198.6925
Monoisotopic Mass: 198.09237617
SMILES and InChIs

SMILES:
Cl.C1CC(CCN1)c1ncccc1
Canonical SMILES:
N1CCC(CC1)c1ccccn1.Cl
InChI:
InChI=1S/C10H14N2.ClH/c1-2-6-12-10(3-1)9-4-7-11-8-5-9;/h1-3,6,9,11H,4-5,7-8H2;1H
InChIKey:
BFWSEJQRPNTSPY-UHFFFAOYSA-N

Cite this record

CBID:292854 http://www.chembase.cn/molecule-292854.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(piperidin-4-yl)pyridine hydrochloride
IUPAC Traditional name
2-(piperidin-4-yl)pyridine hydrochloride
Synonyms
2-(Piperidin-4-yl)pyridine hydrochloride
CAS Number
216688-64-1
PubChem SID
180678385
PubChem CID
22992852

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241726 Please log in.
Data Source Data ID
PubChem 22992852 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

Product Information Bioassay(PubChem)
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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