Home Nitriles 4-[(piperidin-2-yl)methyl]benzonitrile

4-[(piperidin-2-yl)methyl]benzonitrile

CAS No.:
67157-34-0
Catalog Number:
AG01E07E
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
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Product Description
Catalog Number:
AG01E07E
Chemical Name:
4-[(piperidin-2-yl)methyl]benzonitrile
CAS Number:
67157-34-0
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD31665110
IUPAC Name:
4-(piperidin-2-ylmethyl)benzonitrile
InChI:
InChI=1S/C13H16N2/c14-10-12-6-4-11(5-7-12)9-13-3-1-2-8-15-13/h4-7,13,15H,1-3,8-9H2
InChI Key:
AAUPCZZDLOSNNX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CC1CCCCN1
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties