Home Aminos rac-(5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methyl-1H-imidazol-2-yl)piperidin-2-one, trans

rac-(5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methyl-1H-imidazol-2-yl)piperidin-2-one, trans

CAS No.:
2031242-78-9
Catalog Number:
AG01BUNS
Molecular Formula:
C13H20N4O
Molecular Weight:
248.3241
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Product Description
Catalog Number:
AG01BUNS
Chemical Name:
rac-(5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methyl-1H-imidazol-2-yl)piperidin-2-one, trans
CAS Number:
2031242-78-9
Molecular Formula:
C13H20N4O
Molecular Weight:
248.3241
MDL Number:
MFCD30347871
IUPAC Name:
(5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methylimidazol-2-yl)piperidin-2-one
InChI:
InChI=1S/C13H20N4O/c1-16-7-6-15-13(16)12-9(8-14)2-5-11(18)17(12)10-3-4-10/h6-7,9-10,12H,2-5,8,14H2,1H3/t9-,12+/m1/s1
InChI Key:
WNKAFLHNJLTKGO-SKDRFNHKSA-N
SMILES:
NC[C@H]1CCC(=O)N([C@@H]1c1nccn1C)C1CC1
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
248.164g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.33g/mol
Monoisotopic Mass:
248.164g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties