Chemical ID: 7116396

Cc1ccc(c(c1)C(c2ccccc2C)N3CCNCC3)OC
Chemical ID:
7116396
Name [?]:
1-[(2-methoxy-5-methyl-phenyl)-(o-tolyl)methyl]piperazine
SMILES [?]:
Cc1ccc(c(c1)C(c2ccccc2C)N3CCNCC3)OC
InChi [?]:
InChI=1/C20H26N2O/c1-15-8-9-19(23-3)18(14-15)20(22-12-10-21-11-13-22)17-7-5-4-6-16(17)2/h4-9,14,20-21H,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,23,12,11,13,10,3,4,18,20,17,21,7,2,14,9,6,5,8,19,16,22/E:(10,11)(12,13)/rA:23cCCCCCCCCCCCCCCCNCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;s8;s16;s17;s18;s19;s16s20;s5;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2O
All Atoms:49
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.0301
Area:495.375
Solvation:-2.35423
Coulombic:-23.979
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

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Descriptor Annotations

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