Chemical ID: 7508975

CCOc1cc(ccc1OC)CN2CCN(CC2)CCO
Chemical ID:
7508975
Name [?]:
2-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanol
SMILES [?]:
CCOc1cc(ccc1OC)CN2CCN(CC2)CCO
InChi [?]:
InChI=1/C16H26N2O3/c1-3-21-16-12-14(4-5-15(16)20-2)13-18-8-6-17(7-9-18)10-11-19/h4-5,12,19H,3,6-11,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,8,15,17,14,18,19,20,5,12,6,9,4,16,13,21,10,3/E:(6,7)(8,9)/rA:21nCCOCCCCCCOCCNCCNCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s15;s16;s13s17;s16;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26N2O3
All Atoms:47
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:6.1616
Area:512.775
Solvation:-6.65777
Coulombic:-39.7394
Bond Count [?]
All:22
Single:19
Double:3
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.69
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue