Home Other Building Blocks 1-methyl-[2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl]methanamine, trans

1-methyl-[2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl]methanamine, trans

CAS No.:
1820572-30-2
Catalog Number:
AG01BAR0
Molecular Formula:
C11H20N4
Molecular Weight:
208.3033
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Product Description
Catalog Number:
AG01BAR0
Chemical Name:
1-methyl-[2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl]methanamine, trans
CAS Number:
1820572-30-2
Molecular Formula:
C11H20N4
Molecular Weight:
208.3033
MDL Number:
MFCD29033770
IUPAC Name:
[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methanamine
InChI:
InChI=1S/C11H20N4/c1-14-7-3-4-9(8-12)11(14)10-5-6-13-15(10)2/h5-6,9,11H,3-4,7-8,12H2,1-2H3/t9-,11+/m0/s1
InChI Key:
FLZFBJPUNPHGCU-GXSJLCMTSA-N
SMILES:
NC[C@@H]1CCCN([C@H]1c1ccnn1C)C
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
208.169g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.309g/mol
Monoisotopic Mass:
208.169g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties