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3-methyl-5-{4-[1-(piperidin-1-yl)ethyl]phenyl}pyridin-2-amine

ChemBase ID: 410193
Molecular Formular: C19H25N3
Molecular Mass: 295.4219
Monoisotopic Mass: 295.20484782
SMILES and InChIs

SMILES:
n1c(c(cc(c1)c1ccc(C(N2CCCCC2)C)cc1)C)N
Canonical SMILES:
CC(c1ccc(cc1)c1cnc(c(c1)C)N)N1CCCCC1
InChI:
InChI=1S/C19H25N3/c1-14-12-18(13-21-19(14)20)17-8-6-16(7-9-17)15(2)22-10-4-3-5-11-22/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H2,20,21)
InChIKey:
DAOFZLXFNUYGNF-UHFFFAOYSA-N

Cite this record

CBID:410193 http://www.chembase.cn/molecule-410193.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-5-{4-[1-(piperidin-1-yl)ethyl]phenyl}pyridin-2-amine
IUPAC Traditional name
3-methyl-5-{4-[1-(piperidin-1-yl)ethyl]phenyl}pyridin-2-amine
Synonyms
3-methyl-5-[4-(1-piperidin-1-ylethyl)phenyl]pyridin-2-amine

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) -0.61320746  LogD (pH = 7.4) 1.4642355 
Log P 3.8900898  Molar Refractivity 94.1959 cm3
Polarizability 37.071373 Å3 Polar Surface Area 42.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.99  LOG S -3.75 
Polar Surface Area 42.15 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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