Home Nitriles 5-amino-2-(4-hydroxypiperidin-1-yl)benzonitrile

5-amino-2-(4-hydroxypiperidin-1-yl)benzonitrile

CAS No.:
288251-78-5
Catalog Number:
AG019S3P
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
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Product Description
Catalog Number:
AG019S3P
Chemical Name:
5-amino-2-(4-hydroxypiperidin-1-yl)benzonitrile
CAS Number:
288251-78-5
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
MDL Number:
MFCD14617263
IUPAC Name:
5-amino-2-(4-hydroxypiperidin-1-yl)benzonitrile
InChI:
InChI=1S/C12H15N3O/c13-8-9-7-10(14)1-2-12(9)15-5-3-11(16)4-6-15/h1-2,7,11,16H,3-6,14H2
InChI Key:
VXSRJNOLMKZWDC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1N1CCC(CC1)O
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties