ChemDB: Chemical Search
Download
Chemical ID: 4171885
Chemical ID:
4171885
Name [?]:
1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-ethyl-piperazine
SMILES [?]:
CCN1CCN(CC1)Cc2ccc(c(c2)OCC)OC
InChi [?]:
InChI=1/C16H26N2O2/c1-4-17-8-10-18(11-9-17)13-14-6-7-15(19-3)16(12-14)20-5-2/h6-7,12H,4-5,8-11,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,20,2,17,11,12,4,8,5,7,15,9,10,13,14,3,6,19,16/E:(8,9)(10,11)/rA:20nCCNCCNCCCCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.44559 |
Area: | 492.692 |
Solvation: | -4.8717 |
Coulombic: | -24.2696 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.39 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.91 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|