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4-{[3-(3-methylphenyl)piperidin-1-yl]methyl}pyridine

ChemBase ID: 420149
Molecular Formular: C18H22N2
Molecular Mass: 266.38068
Monoisotopic Mass: 266.17829871
SMILES and InChIs

SMILES:
N1(CC(c2cc(ccc2)C)CCC1)Cc1ccncc1
Canonical SMILES:
Cc1cccc(c1)C1CCCN(C1)Cc1ccncc1
InChI:
InChI=1S/C18H22N2/c1-15-4-2-5-17(12-15)18-6-3-11-20(14-18)13-16-7-9-19-10-8-16/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3
InChIKey:
UJUBEEHXJIZKFN-UHFFFAOYSA-N

Cite this record

CBID:420149 http://www.chembase.cn/molecule-420149.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{[3-(3-methylphenyl)piperidin-1-yl]methyl}pyridine
IUPAC Traditional name
4-{[3-(3-methylphenyl)piperidin-1-yl]methyl}pyridine
Synonyms
4-{[3-(3-methylphenyl)-1-piperidinyl]methyl}pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.25936976  LogD (pH = 7.4) 1.7385802 
Log P 3.5595345  Molar Refractivity 84.1936 cm3
Polarizability 32.616962 Å3 Polar Surface Area 16.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.22  LOG S -1.58 
Polar Surface Area 16.13 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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