Home Nitriles 4-Piperidineacetonitrile,1-(phenylmethyl)-

4-Piperidineacetonitrile,1-(phenylmethyl)-

CAS No.:
78056-67-4
Catalog Number:
AG008NQX
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
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Product Description
Catalog Number:
AG008NQX
Chemical Name:
4-Piperidineacetonitrile,1-(phenylmethyl)-
CAS Number:
78056-67-4
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
MDL Number:
MFCD00010108
IUPAC Name:
2-(1-benzylpiperidin-4-yl)acetonitrile
InChI:
InChI=1S/C14H18N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-5,13H,6-8,10-12H2
InChI Key:
ZKOHFVJCKMHYSL-UHFFFAOYSA-N
SMILES:
N#CCC1CCN(CC1)Cc1ccccc1
EC Number:
278-822-6
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.147g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.312g/mol
Monoisotopic Mass:
214.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties