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879896-58-9 molecular structure
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methyl({[2-(piperidin-1-yl)pyridin-4-yl]methyl})amine

ChemBase ID: 101320
Molecular Formular: C12H19N3
Molecular Mass: 205.29936
Monoisotopic Mass: 205.15789762
SMILES and InChIs

SMILES:
c1(N2CCCCC2)nccc(c1)CNC
Canonical SMILES:
CNCc1ccnc(c1)N1CCCCC1
InChI:
InChI=1S/C12H19N3/c1-13-10-11-5-6-14-12(9-11)15-7-3-2-4-8-15/h5-6,9,13H,2-4,7-8,10H2,1H3
InChIKey:
CPEUGLUNQVAGDV-UHFFFAOYSA-N

Cite this record

CBID:101320 http://www.chembase.cn/molecule-101320.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({[2-(piperidin-1-yl)pyridin-4-yl]methyl})amine
IUPAC Traditional name
methyl({[2-(piperidin-1-yl)pyridin-4-yl]methyl})amine
Synonyms
N-methyl-N-[(2-piperidin-1-ylpyridin-4-yl)methyl]amine
CAS Number
879896-58-9
MDL Number
MFCD09025859
PubChem SID
162087093
PubChem CID
17851834

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 17851834 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 64.0332 cm3 Polarizability 24.264168 Å3
Polar Surface Area 28.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -1.3043917 
LogD (pH = 7.4) -0.101843655  Log P 1.8667897 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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