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MFCD06800950 molecular structure
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({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)(methyl)amine

ChemBase ID: 15822
Molecular Formular: C16H26N2O
Molecular Mass: 262.39044
Monoisotopic Mass: 262.20451346
SMILES and InChIs

SMILES:
C1(CCN(CC1)CCc1ccc(cc1)OC)CNC
Canonical SMILES:
CNCC1CCN(CC1)CCc1ccc(cc1)OC
InChI:
InChI=1S/C16H26N2O/c1-17-13-15-8-11-18(12-9-15)10-7-14-3-5-16(19-2)6-4-14/h3-6,15,17H,7-13H2,1-2H3
InChIKey:
MUUDSZXYZJZTEY-UHFFFAOYSA-N

Cite this record

CBID:15822 http://www.chembase.cn/molecule-15822.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)(methyl)amine
IUPAC Traditional name
({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)(methyl)amine
Synonyms
({1-[2-(4-Methoxyphenyl)ethyl]piperidin-4-yl}-methyl)methylamine
MDL Number
MFCD06800950
PubChem SID
160979129
PubChem CID
24274945

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 24274945 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.4444013  LogD (pH = 7.4) -2.7998114 
Log P 2.1499915  Molar Refractivity 80.7933 cm3
Polarizability 31.69467 Å3 Polar Surface Area 24.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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