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Chemical ID: 7087420
Chemical ID:
7087420
Name [?]:
tert-butyl methyl piperazine-1,2-dicarboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CCNCC1C(=O)OC
InChi [?]:
InChI=1/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4/h8,12H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,10,9,12,13,14,6,2,11,8,15,7,16,5/E:(1,2,3)/rA:17cCCCCOCONCCNCCCOOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20N2O4 |
All Atoms: | 37 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.54826 |
Area: | 413.32 |
Solvation: | -2.78475 |
Coulombic: | -56.4697 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 244.288 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.53 |
LogP (Chemaxon): | 0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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