Home Nitriles 2-(4-fluorophenyl)-2-(piperazin-1-yl)acetonitrile

2-(4-fluorophenyl)-2-(piperazin-1-yl)acetonitrile

CAS No.:
875858-81-4
Catalog Number:
AG019PFC
Molecular Formula:
C12H14FN3
Molecular Weight:
219.2581
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Product Description
Catalog Number:
AG019PFC
Chemical Name:
2-(4-fluorophenyl)-2-(piperazin-1-yl)acetonitrile
CAS Number:
875858-81-4
Molecular Formula:
C12H14FN3
Molecular Weight:
219.2581
MDL Number:
MFCD07841699
IUPAC Name:
2-(4-fluorophenyl)-2-piperazin-1-ylacetonitrile
InChI:
InChI=1S/C12H14FN3/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-8H2
InChI Key:
PWCPUKJSYSOSNG-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)F)N1CCNCC1
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.117g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.263g/mol
Monoisotopic Mass:
219.117g/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