Chemical ID: 4625536

COc1ccccc1N2CCN(CC2)CC(c3c[nH]c4c3cccc4)O
Chemical ID:
4625536
Name [?]:
1-(1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethanol
SMILES [?]:
COc1ccccc1N2CCN(CC2)CC(c3c[nH]c4c3cccc4)O
InChi [?]:
InChI=1/C21H25N3O2/c1-26-21-9-5-4-8-19(21)24-12-10-23(11-13-24)15-20(25)17-14-22-18-7-3-2-6-16(17)18/h2-9,14,20,22,25H,10-13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,6,5,22,25,7,4,11,13,10,14,18,15,21,17,20,8,16,3,19,12,9,26,2/E:(10,11)(12,13)/rA:26cCOCCCCCCNCCNCCCCCCNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;d17;s18;s19;s17s20;d21;s22;d23;d20s24;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.62321
Area:565.737
Solvation:-5.52022
Coulombic:-47.0329
Bond Count [?]
All:29
Single:22
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.442
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.96
LogP (Chemaxon):3.67

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