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309915-37-5 molecular structure
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1-[(4-fluorophenyl)methyl]piperazin-2-one

ChemBase ID: 306770
Molecular Formular: C11H13FN2O
Molecular Mass: 208.2321232
Monoisotopic Mass: 208.10119127
SMILES and InChIs

SMILES:
N1(C(=O)CNCC1)Cc1ccc(F)cc1
Canonical SMILES:
Fc1ccc(cc1)CN1CCNCC1=O
InChI:
InChI=1S/C11H13FN2O/c12-10-3-1-9(2-4-10)8-14-6-5-13-7-11(14)15/h1-4,13H,5-8H2
InChIKey:
SXKHEFKMEKHLAS-UHFFFAOYSA-N

Cite this record

CBID:306770 http://www.chembase.cn/molecule-306770.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(4-fluorophenyl)methyl]piperazin-2-one
IUPAC Traditional name
1-[(4-fluorophenyl)methyl]piperazin-2-one
Synonyms
1-(4-fluorobenzyl)piperazin-2-one
CAS Number
309915-37-5
MDL Number
MFCD08669780

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.93352026  LogD (pH = 7.4) 0.46046388 
Log P 0.62116444  Molar Refractivity 55.2536 cm3
Polarizability 21.21237 Å3 Polar Surface Area 32.34 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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