Chemical ID: 4187352

CN1CCN(CC1)C(=O)COc2ccccc2OC
Chemical ID:
4187352
Name [?]:
2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)-ethanone
SMILES [?]:
CN1CCN(CC1)C(=O)COc2ccccc2OC
InChi [?]:
InChI=1/C14H20N2O3/c1-15-7-9-16(10-8-15)14(17)11-19-13-6-4-3-5-12(13)18-2/h3-6H,7-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,15,14,16,13,3,7,4,6,10,17,12,8,2,5,9,18,11/E:(7,8)(9,10)/rA:19nCNCCNCCCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.96677
Area:459.534
Solvation:-6.52158
Coulombic:-34.609
Bond Count [?]
All:20
Single:16
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:264.32
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.54
LogP (Chemaxon):0.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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