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5554-56-3 molecular structure
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1-methyl-2,6-diphenylpiperidin-4-one

ChemBase ID: 310738
Molecular Formular: C18H19NO
Molecular Mass: 265.34956
Monoisotopic Mass: 265.14666423
SMILES and InChIs

SMILES:
N1(C(CC(=O)CC1c1ccccc1)c1ccccc1)C
Canonical SMILES:
CN1C(CC(=O)CC1c1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H19NO/c1-19-17(14-8-4-2-5-9-14)12-16(20)13-18(19)15-10-6-3-7-11-15/h2-11,17-18H,12-13H2,1H3
InChIKey:
UICNNPDZLGFJRO-UHFFFAOYSA-N

Cite this record

CBID:310738 http://www.chembase.cn/molecule-310738.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-2,6-diphenylpiperidin-4-one
IUPAC Traditional name
1-methyl-2,6-diphenylpiperidin-4-one
Synonyms
1-methyl-2,6-diphenylpiperidin-4-one
CAS Number
5554-56-3
MDL Number
MFCD00034486

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) 2.3662586  LogD (pH = 7.4) 3.6316187 
Log P 3.7416131  Molar Refractivity 81.0291 cm3
Polarizability 31.886894 Å3 Polar Surface Area 20.31 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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