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6-{3-[benzyl(methyl)amino]piperidin-1-yl}pyridine-3-carbonitrile

ChemBase ID: 340273
Molecular Formular: C19H22N4
Molecular Mass: 306.40478
Monoisotopic Mass: 306.18444672
SMILES and InChIs

SMILES:
N1(c2ncc(C#N)cc2)CC(N(Cc2ccccc2)C)CCC1
Canonical SMILES:
N#Cc1ccc(nc1)N1CCCC(C1)N(Cc1ccccc1)C
InChI:
InChI=1S/C19H22N4/c1-22(14-16-6-3-2-4-7-16)18-8-5-11-23(15-18)19-10-9-17(12-20)13-21-19/h2-4,6-7,9-10,13,18H,5,8,11,14-15H2,1H3
InChIKey:
RBKHAXGINIJAHA-UHFFFAOYSA-N

Cite this record

CBID:340273 http://www.chembase.cn/molecule-340273.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-{3-[benzyl(methyl)amino]piperidin-1-yl}pyridine-3-carbonitrile
IUPAC Traditional name
6-{3-[benzyl(methyl)amino]piperidin-1-yl}pyridine-3-carbonitrile
Synonyms
6-{3-[benzyl(methyl)amino]-1-piperidinyl}nicotinonitrile

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13849924 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.21720998  LogD (pH = 7.4) 1.6805878 
Log P 3.5228531  Molar Refractivity 94.2077 cm3
Polarizability 35.703545 Å3 Polar Surface Area 43.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.27  LOG S -3.48 
Polar Surface Area 43.16 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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