Home Nitriles Benzonitrile, 2-(4-piperidinyl)-

Benzonitrile, 2-(4-piperidinyl)-

CAS No.:
304462-63-3
Catalog Number:
AG003059
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
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Product Description
Catalog Number:
AG003059
Chemical Name:
Benzonitrile, 2-(4-piperidinyl)-
CAS Number:
304462-63-3
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD11047417
IUPAC Name:
2-piperidin-4-ylbenzonitrile
InChI:
InChI=1S/C12H14N2/c13-9-11-3-1-2-4-12(11)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2
InChI Key:
XZCWBSDEASNABK-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C1CCNCC1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties