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581-45-3 molecular structure
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4-(piperidin-4-yl)pyridine

ChemBase ID: 16561
Molecular Formular: C10H14N2
Molecular Mass: 162.23156
Monoisotopic Mass: 162.11569846
SMILES and InChIs

SMILES:
N1CCC(c2ccncc2)CC1
Canonical SMILES:
N1CCC(CC1)c1ccncc1
InChI:
InChI=1S/C10H14N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-2,5-6,10,12H,3-4,7-8H2
InChIKey:
RGBWBVGQZFJTEO-UHFFFAOYSA-N

Cite this record

CBID:16561 http://www.chembase.cn/molecule-16561.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(piperidin-4-yl)pyridine
IUPAC Traditional name
4-(piperidin-4-yl)pyridine
Synonyms
4-piperidin-4-ylpyridine
4-(4-piperidinyl)pyridine
1,2,3,4,5,6-Hexahydro-[4,4']bipyridinyl
4-(Pyridin-4-yl)piperidine
4-(Piperidin-4-yl)pyridine
CAS Number
581-45-3
MDL Number
MFCD05863877
PubChem SID
160979868
PubChem CID
1139597

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6300845  LogD (pH = 7.4) -1.6863927 
Log P 0.8606383  Molar Refractivity 49.3221 cm3
Polarizability 19.371668 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
86-88°C expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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