Chemical ID: 4171269

COc1ccc(cc1)CN2CCN(CC2)c3ccccc3OC
Chemical ID:
4171269
Name [?]:
1-(2-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]piperazine
SMILES [?]:
COc1ccc(cc1)CN2CCN(CC2)c3ccccc3OC
InChi [?]:
InChI=1/C19H24N2O2/c1-22-17-9-7-16(8-10-17)15-20-11-13-21(14-12-20)18-5-3-4-6-19(18)23-2/h3-10H,11-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,18,19,17,20,5,7,4,8,11,15,12,14,9,6,3,16,21,10,13,2,22/E:(7,8)(9,10)(11,12)(13,14)/rA:23nCOCCCCCCCNCCNCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s10s14;s13;s16;d17;s18;d19;d16s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.96087
Area:524.645
Solvation:-5.15524
Coulombic:-26.7961
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:312.406
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.41
LogP (Chemaxon):3.38

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