Chemical ID: 7116398

Cc1ccc(cc1)C(c2cc(ccc2OC)C)N3CCNCC3
Chemical ID:
7116398
Name [?]:
1-[(2-methoxy-5-methyl-phenyl)-(p-tolyl)methyl]piperazine
SMILES [?]:
Cc1ccc(cc1)C(c2cc(ccc2OC)C)N3CCNCC3
InChi [?]:
InChI=1/C20H26N2O/c1-15-4-7-17(8-5-15)20(22-12-10-21-11-13-22)18-14-16(2)6-9-19(18)23-3/h4-9,14,20-21H,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,16,3,7,12,4,6,13,20,22,19,23,10,2,11,5,9,14,8,21,18,15/E:(4,5)(7,8)(10,11)(12,13)/rA:23cCCCCCCCCCCCCCCOCCNCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;s15;s11;s8;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2O
All Atoms:49
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.2311
Area:511.21
Solvation:-2.54912
Coulombic:-23.8065
Bond Count [?]
All:25
Single:19
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.433
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.54
LogP (Chemaxon):3.9

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