Chemical ID: 7087420

CC(C)(C)OC(=O)N1CCNCC1C(=O)OC
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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