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1060817-03-9 molecular structure
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2-(piperidine-3-carbonyl)pyridine

ChemBase ID: 143877
Molecular Formular: C11H14N2O
Molecular Mass: 190.24166
Monoisotopic Mass: 190.11061308
SMILES and InChIs

SMILES:
c1ccnc(c1)C(=O)C1CCCNC1
Canonical SMILES:
O=C(c1ccccn1)C1CCCNC1
InChI:
InChI=1S/C11H14N2O/c14-11(9-4-3-6-12-8-9)10-5-1-2-7-13-10/h1-2,5,7,9,12H,3-4,6,8H2
InChIKey:
GVRQPEWKLVGHFL-UHFFFAOYSA-N

Cite this record

CBID:143877 http://www.chembase.cn/molecule-143877.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(piperidine-3-carbonyl)pyridine
IUPAC Traditional name
2-(piperidine-3-carbonyl)pyridine
Synonyms
Piperidin-3-yl(pyridin-2-yl)methanone
piperidin-3-yl(pyridin-2-yl)methanone
CAS Number
1060817-03-9
MDL Number
MFCD09055256
PubChem SID
162238094
PubChem CID
45791042

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45791042 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.431481  H Acceptors
H Donor LogD (pH = 5.5) -2.189958 
LogD (pH = 7.4) -0.9850118  Log P 0.9585566 
Molar Refractivity 54.2095 cm3 Polarizability 21.333408 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Empirical Formula (Hill Notation)
C11H14N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00404 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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