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

3-(PIPERIDIN-3-YLOXY)-BENZONITRILE

CAS No.:
902836-93-5
Catalog Number:
AG003I2K
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
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Product Description
Catalog Number:
AG003I2K
Chemical Name:
3-(PIPERIDIN-3-YLOXY)-BENZONITRILE
CAS Number:
902836-93-5
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD08061079
IUPAC Name:
3-piperidin-3-yloxybenzonitrile
InChI:
InChI=1S/C12H14N2O/c13-8-10-3-1-4-11(7-10)15-12-5-2-6-14-9-12/h1,3-4,7,12,14H,2,5-6,9H2
InChI Key:
OSURJDMYHKQISX-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)OC1CCCNC1
Properties
Complexity:
245  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties