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883533-01-5 molecular structure
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[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine

ChemBase ID: 15750
Molecular Formular: C12H25N3
Molecular Mass: 211.347
Monoisotopic Mass: 211.20484782
SMILES and InChIs

SMILES:
C1C(CCN(C1)C1CCN(CC1)C)CN
Canonical SMILES:
NCC1CCN(CC1)C1CCN(CC1)C
InChI:
InChI=1S/C12H25N3/c1-14-6-4-12(5-7-14)15-8-2-11(10-13)3-9-15/h11-12H,2-10,13H2,1H3
InChIKey:
ADFNFTLPQOJDDG-UHFFFAOYSA-N

Cite this record

CBID:15750 http://www.chembase.cn/molecule-15750.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine
IUPAC Traditional name
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine
Synonyms
1-(1'-Methyl-1,4'-bipiperidin-4-yl)methanamine
CAS Number
883533-01-5
MDL Number
MFCD06800995
PubChem SID
160979057
PubChem CID
23004733

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23004733 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P -0.11124586  Molar Refractivity 65.639 cm3
Polarizability 25.977915 Å3 Polar Surface Area 32.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) -8.206518  LogD (pH = 7.4) -5.484089 

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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