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1-{[3-(4-fluorophenoxy)phenyl]methyl}-4-(1-methyl-1H-imidazol-2-yl)piperidine

ChemBase ID: 340945
Molecular Formular: C22H24FN3O
Molecular Mass: 365.4438632
Monoisotopic Mass: 365.19034062
SMILES and InChIs

SMILES:
c1(n(ccn1)C)C1CCN(Cc2cc(Oc3ccc(F)cc3)ccc2)CC1
Canonical SMILES:
Fc1ccc(cc1)Oc1cccc(c1)CN1CCC(CC1)c1nccn1C
InChI:
InChI=1S/C22H24FN3O/c1-25-14-11-24-22(25)18-9-12-26(13-10-18)16-17-3-2-4-21(15-17)27-20-7-5-19(23)6-8-20/h2-8,11,14-15,18H,9-10,12-13,16H2,1H3
InChIKey:
QFNWFMVSLAEHLV-UHFFFAOYSA-N

Cite this record

CBID:340945 http://www.chembase.cn/molecule-340945.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{[3-(4-fluorophenoxy)phenyl]methyl}-4-(1-methyl-1H-imidazol-2-yl)piperidine
IUPAC Traditional name
1-{[3-(4-fluorophenoxy)phenyl]methyl}-4-(1-methylimidazol-2-yl)piperidine
Synonyms
1-[3-(4-fluorophenoxy)benzyl]-4-(1-methyl-1H-imidazol-2-yl)piperidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13949940 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) 0.55235595  LogD (pH = 7.4) 2.8474166 
Log P 4.0556045  Molar Refractivity 105.1463 cm3
Polarizability 40.238163 Å3 Polar Surface Area 30.29 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.17  LOG S -4.42 
Polar Surface Area 30.29 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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