Chemical ID: 7091046

Cc1cc(c(cc1C)N2CCNCC2)C
Chemical ID:
7091046
Name [?]:
1-(2,4,5-trimethylphenyl)piperazine
SMILES [?]:
Cc1cc(c(cc1C)N2CCNCC2)C
InChi [?]:
InChI=1/C13H20N2/c1-10-8-12(3)13(9-11(10)2)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,15,11,13,10,14,3,6,2,7,4,5,12,9/E:(4,5)(6,7)/rA:15nCCCCCCCCNCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;s12;s9s13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2
All Atoms:35
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.29427
Area:384.514
Solvation:-1.31859
Coulombic:-15.5051
Bond Count [?]
All:16
Single:13
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.311
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.73
LogP (Chemaxon):3.15

Name Annotations

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Descriptor Annotations

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