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Chemical ID: 5647280
Chemical ID:
5647280
Name [?]:
1,4-bis(4-methylpiperazin-1-yl)butane-1,4-dione
SMILES [?]:
CN1CCN(CC1)C(=O)CCC(=O)N2CCN(CC2)C
InChi [?]:
InChI=1/C14H26N4O2/c1-15-5-9-17(10-6-15)13(19)3-4-14(20)18-11-7-16(2)8-12-18/h3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,10,11,3,7,16,18,4,6,15,19,8,12,2,17,5,14,9,13/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCNCCNCCCOCCCONCCNCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H26N4O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.78022 |
Area: | 489.727 |
Solvation: | -3.46296 |
Coulombic: | -39.0247 |
Bond Count [?]
All: | 21 |
Single: | 19 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 282.382 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | -1.56 |
LogP (Chemaxon): | -1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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