Chemical ID: 7089950

COc1ccccc1OCC(=O)N2CCNCC2
Chemical ID:
7089950
Name [?]:
2-(2-methoxyphenoxy)-1-piperazin-1-yl-ethanone
SMILES [?]:
COc1ccccc1OCC(=O)N2CCNCC2
InChi [?]:
InChI=1/C13H18N2O3/c1-17-11-4-2-3-5-12(11)18-10-13(16)15-8-6-14-7-9-15/h2-5,14H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,7,15,17,14,18,10,3,8,11,16,13,12,2,9/E:(6,7)(8,9)/rA:18nCOCCCCCCOCCONCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O3
All Atoms:36
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:4.52385
Area:439.627
Solvation:-6.46682
Coulombic:-38.2727
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:250.294
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.3
LogP (Chemaxon):0.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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