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Chemical ID: 7089950
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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