Home Nitriles 5-[(piperazin-1-yl)methyl]pyridine-3-carbonitrile

5-[(piperazin-1-yl)methyl]pyridine-3-carbonitrile

CAS No.:
2092857-00-4
Catalog Number:
AG01BNGK
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
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Product Description
Catalog Number:
AG01BNGK
Chemical Name:
5-[(piperazin-1-yl)methyl]pyridine-3-carbonitrile
CAS Number:
2092857-00-4
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
MDL Number:
MFCD31429609
IUPAC Name:
5-(piperazin-1-ylmethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C11H14N4/c12-6-10-5-11(8-14-7-10)9-15-3-1-13-2-4-15/h5,7-8,13H,1-4,9H2
InChI Key:
PJQGWWSQAUPAQJ-UHFFFAOYSA-N
SMILES:
N#Cc1cncc(c1)CN1CCNCC1
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.122g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.261g/mol
Monoisotopic Mass:
202.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties