Chemical ID: 7090694

Cc1ccccc1OCC(=O)N2CCNCC2
Chemical ID:
7090694
Name [?]:
2-(2-methylphenoxy)-1-piperazin-1-yl-ethanone
SMILES [?]:
Cc1ccccc1OCC(=O)N2CCNCC2
InChi [?]:
InChI=1/C13H18N2O2/c1-11-4-2-3-5-12(11)17-10-13(16)15-8-6-14-7-9-15/h2-5,14H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,14,16,13,17,9,2,7,10,15,12,11,8/E:(6,7)(8,9)/rA:17nCCCCCCCOCCONCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O2
All Atoms:35
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.50682
Area:423.336
Solvation:-4.07656
Coulombic:-32.3018
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.294
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.88
LogP (Chemaxon):0.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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