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Chemical ID: 4663168
Chemical ID:
4663168
Name [?]:
ethyl 4-methylpiperazine-1-carboxylate
SMILES [?]:
CCOC(=O)N1CCN(CC1)C
InChi [?]:
InChI=1/C8H16N2O2/c1-3-12-8(11)10-6-4-9(2)5-7-10/h3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,8,10,7,11,4,9,6,5,3/E:(4,5)(6,7)/rA:12nCCOCONCCNCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H16N2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.88838 |
Area: | 346.344 |
Solvation: | -1.77022 |
Coulombic: | -33.7097 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 172.225 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.09 |
LogP (Chemaxon): | 0.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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