ChemDB: Chemical Search
Download
Chemical ID: 7517202
Chemical ID:
7517202
Name [?]:
3-[3-(4-ethylpiperazin-1-yl)propoxy]benzaldehyde
SMILES [?]:
CCN1CCN(CC1)CCCOc2cccc(c2)C=O
InChi [?]:
InChI=1/C16H24N2O2/c1-2-17-8-10-18(11-9-17)7-4-12-20-16-6-3-5-15(13-16)14-19/h3,5-6,13-14H,2,4,7-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,10,16,14,9,4,8,5,7,11,18,19,17,13,3,6,20,12/E:(8,9)(10,11)/rA:20nCCNCCNCCCCCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O2 |
All Atoms: | 44 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.59687 |
Area: | 507.444 |
Solvation: | -4.08924 |
Coulombic: | -24.388 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.91 |
LogP (Chemaxon): | None |
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 |
---|