Home Amines 1105196-28-8
1105196-28-8,MFCD16652895
Catalog No.:AA01AQDZ
1105196-28-8 | [2-(4-Piperidin-1-yl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]amine
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Technical Information
Catalog Number:
AA01AQDZ
Chemical Name:
[2-(4-Piperidin-1-yl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]amine
CAS Number:
1105196-28-8
Molecular Formula:
C12H18N6
Molecular Weight:
246.3115
MDL Number:
MFCD16652895
IUPAC Name:
2-(4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanamine
InChI:
InChI=1S/C12H18N6/c13-4-7-18-12-10(8-16-18)11(14-9-15-12)17-5-2-1-3-6-17/h8-9H,1-7,13H2
InChI Key:
XOUMPNKSJPVWHQ-UHFFFAOYSA-N
SMILES:
NCCn1ncc2c1ncnc2N1CCCCC1
Properties
Computed Properties
 
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.159g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.318g/mol
Monoisotopic Mass:
246.159g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

Synonyms
 
1105196-28-8 
[2-(4-piperidin-1-yl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]amine 
ZINC26421575 
AKOS005207766 
MCULE-1853394753 
F2135-0805 
2-[4-(piperidin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanamine 
2-(4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanamine 
Literature
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