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883516-04-9 molecular structure
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dimethyl({[1-(piperidin-4-yl)piperidin-4-yl]methyl})amine

ChemBase ID: 15766
Molecular Formular: C13H27N3
Molecular Mass: 225.37358
Monoisotopic Mass: 225.22049788
SMILES and InChIs

SMILES:
N1(CCC(CC1)CN(C)C)C1CCNCC1
Canonical SMILES:
CN(CC1CCN(CC1)C1CCNCC1)C
InChI:
InChI=1S/C13H27N3/c1-15(2)11-12-5-9-16(10-6-12)13-3-7-14-8-4-13/h12-14H,3-11H2,1-2H3
InChIKey:
MLVPRIFEJJPBCE-UHFFFAOYSA-N

Cite this record

CBID:15766 http://www.chembase.cn/molecule-15766.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl({[1-(piperidin-4-yl)piperidin-4-yl]methyl})amine
IUPAC Traditional name
dimethyl({[1-(piperidin-4-yl)piperidin-4-yl]methyl})amine
Synonyms
(1,4'-Bipiperidin-4-ylmethyl)dimethylamine
4-[4-Methyl(N,N-dimethylamino)piperidin-1-yl]piperidine
CAS Number
883516-04-9
MDL Number
MFCD06799964
PubChem SID
160979073
PubChem CID
23004741

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23004741 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -8.665766  LogD (pH = 7.4) -5.5211062 
Log P 0.32133454  Molar Refractivity 70.4136 cm3
Polarizability 27.824001 Å3 Polar Surface Area 18.51 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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