Home Nitriles 2-((4-Hydroxypiperidin-1-yl)methyl)benzonitrile

2-((4-Hydroxypiperidin-1-yl)methyl)benzonitrile

CAS No.:
887593-76-2
Catalog Number:
AG008B8B
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
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Product Description
Catalog Number:
AG008B8B
Chemical Name:
2-((4-Hydroxypiperidin-1-yl)methyl)benzonitrile
CAS Number:
887593-76-2
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD06656914
IUPAC Name:
2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C13H16N2O/c14-9-11-3-1-2-4-12(11)10-15-7-5-13(16)6-8-15/h1-4,13,16H,5-8,10H2
InChI Key:
COPODFLYJNEAKS-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CN1CCC(CC1)O
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties