Chemical ID: 4119479

COc1ccc(cc1OC)CN2CCNCC2
Chemical ID:
4119479
Name [?]:
1-[(3,4-dimethoxyphenyl)methyl]piperazine
SMILES [?]:
COc1ccc(cc1OC)CN2CCNCC2
InChi [?]:
InChI=1/C13H20N2O2/c1-16-12-4-3-11(9-13(12)17-2)10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,4,14,16,13,17,7,11,6,3,8,15,12,2,9/E:(5,6)(7,8)/rA:17nCOCCCCCCOCCNCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.59794
Area:421.027
Solvation:-4.92774
Coulombic:-27.491
Bond Count [?]
All:18
Single:15
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:236.31
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.74
LogP (Chemaxon):0.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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