Chemical ID: 4462875

c1cc(ccc1C#N)OCC(=O)N2CCCCC2
Chemical ID:
4462875
Name [?]:
4-(1-piperidylcarbonylmethoxy)benzonitrile
SMILES [?]:
c1cc(ccc1C#N)OCC(=O)N2CCCCC2
InChi [?]:
InChI=1/C14H16N2O2/c15-10-12-4-6-13(7-5-12)18-11-14(17)16-8-2-1-3-9-16/h4-7H,1-3,8-9,11H2
InChi Info:
AuxInfo=1/0/N:16,15,17,1,5,2,4,14,18,7,10,6,3,11,8,13,12,9/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCNOCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.05544
Area:451.047
Solvation:-4.22074
Coulombic:-26.9015
Bond Count [?]
All:19
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:244.289
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.84
LogP (Chemaxon):1.5

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue