Chemical ID: 7517202

CCN1CCN(CC1)CCCOc2cccc(c2)C=O
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

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Experimental Annotations

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Descriptor Annotations

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