Chemical ID: 4172087

Cc1ccc(cc1)CN2CCN(CC2)c3ccccc3C
Chemical ID:
4172087
Name [?]:
1-(o-tolyl)-4-(p-tolylmethyl)piperazine
SMILES [?]:
Cc1ccc(cc1)CN2CCN(CC2)c3ccccc3C
InChi [?]:
InChI=1/C19H24N2/c1-16-7-9-18(10-8-16)15-20-11-13-21(14-12-20)19-6-4-3-5-17(19)2/h3-10H,11-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,18,17,19,16,3,7,4,6,10,14,11,13,8,2,20,5,15,9,12/E:(7,8)(9,10)(11,12)(13,14)/rA:21nCCCCCCCCNCCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s9s13;s12;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4901
Area:493.034
Solvation:-1.83581
Coulombic:-13.8387
Bond Count [?]
All:23
Single:17
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:280.407
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.25
LogP (Chemaxon):4.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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