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1-methanesulfonyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine

ChemBase ID: 360298
Molecular Formular: C16H26N2O3S
Molecular Mass: 326.45424
Monoisotopic Mass: 326.1664137
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCC(CC1)N(CCOc1ccc(cc1)C)C)C
Canonical SMILES:
CN(C1CCN(CC1)S(=O)(=O)C)CCOc1ccc(cc1)C
InChI:
InChI=1S/C16H26N2O3S/c1-14-4-6-16(7-5-14)21-13-12-17(2)15-8-10-18(11-9-15)22(3,19)20/h4-7,15H,8-13H2,1-3H3
InChIKey:
BRCWLQADJOYGHD-UHFFFAOYSA-N

Cite this record

CBID:360298 http://www.chembase.cn/molecule-360298.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methanesulfonyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
IUPAC Traditional name
1-methanesulfonyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
Synonyms
N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(methylsulfonyl)piperidin-4-amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 16789225 external link Add to cart
Data Source Data ID Price
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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) -2.215615  LogD (pH = 7.4) -0.7630978 
Log P 1.0963798  Molar Refractivity 88.9048 cm3
Polarizability 35.454277 Å3 Polar Surface Area 49.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.55  LOG S -2.75 
Polar Surface Area 49.85 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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