Chemical ID: 7088943

COc1ccc(c(c1)N2CCNCC2)OC
Chemical ID:
7088943
Name [?]:
1-(2,5-dimethoxyphenyl)piperazine
SMILES [?]:
COc1ccc(c(c1)N2CCNCC2)OC
InChi [?]:
InChI=1/C12H18N2O2/c1-15-10-3-4-12(16-2)11(9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,4,5,11,13,10,14,8,3,7,6,12,9,2,15/E:(5,6)(7,8)/rA:16nCOCCCCCCNCCNCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s9s13;s6;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O2
All Atoms:34
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.33271
Area:396.827
Solvation:-4.58796
Coulombic:-28.4459
Bond Count [?]
All:17
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:222.284
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.47
LogP (Chemaxon):1.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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