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2-[2-(3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidin-1-yl)ethoxy]ethan-1-ol

ChemBase ID: 323226
Molecular Formular: C18H26F3NO2
Molecular Mass: 345.3997496
Monoisotopic Mass: 345.19156374
SMILES and InChIs

SMILES:
C(c1c(CCC2CN(CCC2)CCOCCO)cccc1)(F)(F)F
Canonical SMILES:
OCCOCCN1CCCC(C1)CCc1ccccc1C(F)(F)F
InChI:
InChI=1S/C18H26F3NO2/c19-18(20,21)17-6-2-1-5-16(17)8-7-15-4-3-9-22(14-15)10-12-24-13-11-23/h1-2,5-6,15,23H,3-4,7-14H2
InChIKey:
FHMHRHMBNCDFCZ-UHFFFAOYSA-N

Cite this record

CBID:323226 http://www.chembase.cn/molecule-323226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidin-1-yl)ethoxy]ethan-1-ol
IUPAC Traditional name
2-[2-(3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidin-1-yl)ethoxy]ethanol
Synonyms
2-[2-(3-{2-[2-(trifluoromethyl)phenyl]ethyl}-1-piperidinyl)ethoxy]ethanol

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11402251 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.121228  H Acceptors
H Donor LogD (pH = 5.5) 0.27034247 
LogD (pH = 7.4) 1.7445904  Log P 3.5692208 
Molar Refractivity 89.2082 cm3 Polarizability 33.634037 Å3
Polar Surface Area 32.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.39  LOG S -3.61 
Polar Surface Area 32.7 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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