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161894-21-9 molecular structure
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1,3-dimethyl-2-phenylpiperidin-4-one

ChemBase ID: 310587
Molecular Formular: C13H17NO
Molecular Mass: 203.28018
Monoisotopic Mass: 203.13101417
SMILES and InChIs

SMILES:
C1(C(C(=O)CCN1C)C)c1ccccc1
Canonical SMILES:
CN1CCC(=O)C(C1c1ccccc1)C
InChI:
InChI=1S/C13H17NO/c1-10-12(15)8-9-14(2)13(10)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKey:
STSXXDYXEZFGJE-UHFFFAOYSA-N

Cite this record

CBID:310587 http://www.chembase.cn/molecule-310587.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dimethyl-2-phenylpiperidin-4-one
IUPAC Traditional name
1,3-dimethyl-2-phenylpiperidin-4-one
Synonyms
1,3-dimethyl-2-phenylpiperidin-4-one
CAS Number
161894-21-9
MDL Number
MFCD00543850

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) 0.8623185  LogD (pH = 7.4) 2.312377 
Log P 2.5003593  Molar Refractivity 61.3208 cm3
Polarizability 24.103819 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

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