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Chemical ID: 7091046
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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Experimental Annotations
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Descriptor Annotations
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