Chemical ID: 7088484

c1cc(ccc1C#N)C2CCNCC2
Chemical ID:
7088484
Name [?]:
4-(4-piperidyl)benzonitrile
SMILES [?]:
c1cc(ccc1C#N)C2CCNCC2
InChi [?]:
InChI=1/C12H14N2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-4,12,14H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,14,11,13,7,6,3,9,8,12/E:(1,2)(3,4)(5,6)(7,8)/rA:14nCCCCCCCNCCCNCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2
All Atoms:28
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.96189
Area:372.34
Solvation:-1.34661
Coulombic:-13.5633
Bond Count [?]
All:15
Single:11
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:186.253
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.79
LogP (Chemaxon):1.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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