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Chemical ID: 4493685
Chemical ID:
4493685
Name [?]:
1-[2-(2,5-dimethylphenoxy)ethyl]-4-ethyl-piperazine
SMILES [?]:
CCN1CCN(CC1)CCOc2cc(ccc2C)C
InChi [?]:
InChI=1/C16H26N2O/c1-4-17-7-9-18(10-8-17)11-12-19-16-13-14(2)5-6-15(16)3/h5-6,13H,4,7-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,2,15,16,4,8,5,7,9,10,13,14,17,12,3,6,11/E:(7,8)(9,10)/rA:19nCCNCCNCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.95931 |
Area: | 482.934 |
Solvation: | -3.11405 |
Coulombic: | -17.469 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.391 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.52 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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