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365554-90-1 molecular structure
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1-(3-methylphenyl)piperidin-4-one

ChemBase ID: 306507
Molecular Formular: C12H15NO
Molecular Mass: 189.2536
Monoisotopic Mass: 189.11536411
SMILES and InChIs

SMILES:
N1(c2cc(ccc2)C)CCC(=O)CC1
Canonical SMILES:
O=C1CCN(CC1)c1cccc(c1)C
InChI:
InChI=1S/C12H15NO/c1-10-3-2-4-11(9-10)13-7-5-12(14)6-8-13/h2-4,9H,5-8H2,1H3
InChIKey:
GVPYLQUBHKXFJP-UHFFFAOYSA-N

Cite this record

CBID:306507 http://www.chembase.cn/molecule-306507.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-methylphenyl)piperidin-4-one
IUPAC Traditional name
1-(3-methylphenyl)piperidin-4-one
Synonyms
1-(3-methylphenyl)piperidin-4-one
CAS Number
365554-90-1
MDL Number
MFCD05864586

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5423493  LogD (pH = 7.4) 2.5772114 
Log P 2.5776744  Molar Refractivity 58.0032 cm3
Polarizability 21.78769 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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