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6-methoxy-1-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]hexan-1-one

ChemBase ID: 323404
Molecular Formular: C19H30N2O2
Molecular Mass: 318.4537
Monoisotopic Mass: 318.23072821
SMILES and InChIs

SMILES:
N1(C(=O)CCCCCOC)C(CN(c2ccc(cc2)C)CC1)C
Canonical SMILES:
COCCCCCC(=O)N1CCN(CC1C)c1ccc(cc1)C
InChI:
InChI=1S/C19H30N2O2/c1-16-8-10-18(11-9-16)20-12-13-21(17(2)15-20)19(22)7-5-4-6-14-23-3/h8-11,17H,4-7,12-15H2,1-3H3
InChIKey:
ZLELXORZCDYJSM-UHFFFAOYSA-N

Cite this record

CBID:323404 http://www.chembase.cn/molecule-323404.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxy-1-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]hexan-1-one
IUPAC Traditional name
6-methoxy-1-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]hexan-1-one
Synonyms
1-(6-methoxyhexanoyl)-2-methyl-4-(4-methylphenyl)piperazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 3.3120008  LogD (pH = 7.4) 3.3258107 
Log P 3.3259897  Molar Refractivity 95.3777 cm3
Polarizability 36.50326 Å3 Polar Surface Area 32.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.64  LOG S -3.78 
Polar Surface Area 32.78 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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