Home Other Building Blocks 3-(PIPERIDIN-4-YLOXY)BENZONITRILE

3-(PIPERIDIN-4-YLOXY)BENZONITRILE

CAS No.:
459819-37-5
Catalog Number:
AG00E6F9
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
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Product Description
Catalog Number:
AG00E6F9
Chemical Name:
3-(PIPERIDIN-4-YLOXY)BENZONITRILE
CAS Number:
459819-37-5
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD08061088
IUPAC Name:
3-piperidin-4-yloxybenzonitrile
InChI:
InChI=1S/C12H14N2O/c13-9-10-2-1-3-12(8-10)15-11-4-6-14-7-5-11/h1-3,8,11,14H,4-7H2
InChI Key:
ZVXXHZKEDUZNMJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)OC1CCNCC1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties