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3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine

ChemBase ID: 323790
Molecular Formular: C18H23F2N3
Molecular Mass: 319.3921264
Monoisotopic Mass: 319.18600419
SMILES and InChIs

SMILES:
c1(n(ccn1)C)CN1CC(CCc2c(cc(cc2)F)F)CCC1
Canonical SMILES:
Fc1ccc(c(c1)F)CCC1CCCN(C1)Cc1nccn1C
InChI:
InChI=1S/C18H23F2N3/c1-22-10-8-21-18(22)13-23-9-2-3-14(12-23)4-5-15-6-7-16(19)11-17(15)20/h6-8,10-11,14H,2-5,9,12-13H2,1H3
InChIKey:
PMZBFNXYHOFBAW-UHFFFAOYSA-N

Cite this record

CBID:323790 http://www.chembase.cn/molecule-323790.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
IUPAC Traditional name
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine
Synonyms
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine

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)
H Acceptors H Donor
LogD (pH = 5.5) 1.5148159  LogD (pH = 7.4) 3.1249182 
Log P 3.6166992  Molar Refractivity 88.1226 cm3
Polarizability 33.272717 Å3 Polar Surface Area 21.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.77  LOG S -4.32 
Polar Surface Area 21.06 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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