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Chemical ID: 4171269
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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