Chemical ID: 5170336

CC(C)(C)c1ccc(cc1)OCC(=O)N2CCN(CC2)C
Chemical ID:
5170336
Name [?]:
1-(4-methylpiperazin-1-yl)-2-(4-tert-butylphenoxy)-ethanone
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCC(=O)N2CCN(CC2)C
InChi [?]:
InChI=1/C17H26N2O2/c1-17(2,3)14-5-7-15(8-6-14)21-13-16(20)19-11-9-18(4)10-12-19/h5-8H,9-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,21,6,10,7,9,17,19,16,20,12,5,8,13,2,18,15,14,11/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:21nCCCCCCCCCCOCCONCCNCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.52076
Area:506.906
Solvation:-4.1519
Coulombic:-29.3484
Bond Count [?]
All:22
Single:18
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.401
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.71
LogP (Chemaxon):2.39

Name Annotations

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Descriptor Annotations

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