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2-{3-[2-(2,6-difluorophenyl)ethyl]piperidine-1-carbonyl}pyridine

ChemBase ID: 398989
Molecular Formular: C19H20F2N2O
Molecular Mass: 330.3717064
Monoisotopic Mass: 330.15436971
SMILES and InChIs

SMILES:
N1(C(=O)c2ncccc2)CC(CCc2c(F)cccc2F)CCC1
Canonical SMILES:
O=C(c1ccccn1)N1CCCC(C1)CCc1c(F)cccc1F
InChI:
InChI=1S/C19H20F2N2O/c20-16-6-3-7-17(21)15(16)10-9-14-5-4-12-23(13-14)19(24)18-8-1-2-11-22-18/h1-3,6-8,11,14H,4-5,9-10,12-13H2
InChIKey:
UUXDXJJALHMMCR-UHFFFAOYSA-N

Cite this record

CBID:398989 http://www.chembase.cn/molecule-398989.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{3-[2-(2,6-difluorophenyl)ethyl]piperidine-1-carbonyl}pyridine
IUPAC Traditional name
2-{3-[2-(2,6-difluorophenyl)ethyl]piperidine-1-carbonyl}pyridine
Synonyms
2-({3-[2-(2,6-difluorophenyl)ethyl]-1-piperidinyl}carbonyl)pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 22587147 external link Add to cart
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.9630847  LogD (pH = 7.4) 3.9631002 
Log P 3.9631002  Molar Refractivity 88.7443 cm3
Polarizability 33.298954 Å3 Polar Surface Area 33.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.45  LOG S -5.36 
Polar Surface Area 33.2 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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