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Chemical ID: 7090685
Chemical ID:
7090685
Name [?]:
2-piperazin-1-ylbenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)N2CCNCC2
InChi [?]:
InChI=1/C11H14N2O2/c14-11(15)9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,11,15,5,4,7,13,10,8,9/E:(5,6)(7,8)(14,15)/rA:15nCCCCCCCOONCCNCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.67821 |
Area: | 364.748 |
Solvation: | -2.44048 |
Coulombic: | -42.5088 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.241 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.25 |
LogP (Chemaxon): | -1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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