Home Nitriles 5-fluoro-2-(3-hydroxypiperidin-1-yl)benzonitrile

5-fluoro-2-(3-hydroxypiperidin-1-yl)benzonitrile

CAS No.:
1260803-70-0
Catalog Number:
AG01B15S
Molecular Formula:
C12H13FN2O
Molecular Weight:
220.2428
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Product Description
Catalog Number:
AG01B15S
Chemical Name:
5-fluoro-2-(3-hydroxypiperidin-1-yl)benzonitrile
CAS Number:
1260803-70-0
Molecular Formula:
C12H13FN2O
Molecular Weight:
220.2428
MDL Number:
MFCD11037690
IUPAC Name:
5-fluoro-2-(3-hydroxypiperidin-1-yl)benzonitrile
InChI:
InChI=1S/C12H13FN2O/c13-10-3-4-12(9(6-10)7-14)15-5-1-2-11(16)8-15/h3-4,6,11,16H,1-2,5,8H2
InChI Key:
FXAWEFKXNWIMFA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)ccc1N1CCCC(C1)O
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.247g/mol
Monoisotopic Mass:
220.101g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties