Home Other Building Blocks 3-(P-CYANOBENZYL)-PIPERIDINE

3-(P-CYANOBENZYL)-PIPERIDINE

CAS No.:
1158746-94-1
Catalog Number:
AG01DV08
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
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Product Description
Catalog Number:
AG01DV08
Chemical Name:
3-(P-CYANOBENZYL)-PIPERIDINE
CAS Number:
1158746-94-1
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD12406719
IUPAC Name:
4-(piperidin-3-ylmethyl)benzonitrile
InChI:
InChI=1S/C13H16N2/c14-9-12-5-3-11(4-6-12)8-13-2-1-7-15-10-13/h3-6,13,15H,1-2,7-8,10H2
InChI Key:
JHGVMDAVJMSXHW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CC1CCCNC1
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties