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2-{1-[(2-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-2-yl}ethan-1-ol

ChemBase ID: 340462
Molecular Formular: C20H24F2N2O
Molecular Mass: 346.4141664
Monoisotopic Mass: 346.18566984
SMILES and InChIs

SMILES:
N1(Cc2c(F)cccc2)C(CN(Cc2ccc(F)cc2)CC1)CCO
Canonical SMILES:
OCCC1CN(CCN1Cc1ccccc1F)Cc1ccc(cc1)F
InChI:
InChI=1S/C20H24F2N2O/c21-18-7-5-16(6-8-18)13-23-10-11-24(19(15-23)9-12-25)14-17-3-1-2-4-20(17)22/h1-8,19,25H,9-15H2
InChIKey:
WOBGDQDZWHLPSC-UHFFFAOYSA-N

Cite this record

CBID:340462 http://www.chembase.cn/molecule-340462.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{1-[(2-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-2-yl}ethan-1-ol
IUPAC Traditional name
2-{1-[(2-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-2-yl}ethanol
Synonyms
2-[1-(2-fluorobenzyl)-4-(4-fluorobenzyl)-2-piperazinyl]ethanol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.921743  H Acceptors
H Donor LogD (pH = 5.5) 1.0584307 
LogD (pH = 7.4) 2.7519796  Log P 3.201264 
Molar Refractivity 96.5241 cm3 Polarizability 36.898834 Å3
Polar Surface Area 26.71 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.06  LOG S -1.41 
Polar Surface Area 26.71 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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