Chemical ID: 5104497

CCOc1cc(c(cc1C(C)C)C(CN2CCNCC2)O)C
Chemical ID:
5104497
Name [?]:
1-(4-ethoxy-5-isopropyl-2-methyl-phenyl)-2-piperazin-1-yl-ethanol
SMILES [?]:
CCOc1cc(c(cc1C(C)C)C(CN2CCNCC2)O)C
InChi [?]:
InChI=1/C18H30N2O2/c1-5-22-18-10-14(4)16(11-15(18)13(2)3)17(21)12-20-8-6-19-7-9-20/h10-11,13,17,19,21H,5-9,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,11,12,22,2,17,19,16,20,5,8,14,10,6,9,7,13,4,18,15,21,3/E:(2,3)(6,7)(8,9)/rA:22cCCOCCCCCCCCCCCNCCNCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s10;s7;s13;s14;s15;s16;s17;s18;s15s19;s13;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H30N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.22478
Area:528.741
Solvation:-3.99374
Coulombic:-38.3702
Bond Count [?]
All:23
Single:20
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:306.443
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.54
LogP (Chemaxon):2.75

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Descriptor Annotations

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