Home Nitriles 3-[1-(piperazin-1-yl)ethyl]benzonitrile

3-[1-(piperazin-1-yl)ethyl]benzonitrile

CAS No.:
1341727-59-0
Catalog Number:
AG01A72G
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
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Product Description
Catalog Number:
AG01A72G
Chemical Name:
3-[1-(piperazin-1-yl)ethyl]benzonitrile
CAS Number:
1341727-59-0
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD19625764
IUPAC Name:
3-(1-piperazin-1-ylethyl)benzonitrile
InChI:
InChI=1S/C13H17N3/c1-11(16-7-5-15-6-8-16)13-4-2-3-12(9-13)10-14/h2-4,9,11,15H,5-8H2,1H3
InChI Key:
JMZITBZHHYXLPQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(N1CCNCC1)C
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties