Chemical ID: 4171885

CCN1CCN(CC1)Cc2ccc(c(c2)OCC)OC
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

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Descriptor Annotations

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