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Chemical ID: 7116395
Chemical ID:
7116395
Name [?]:
1-[(2-methoxy-5-methyl-phenyl)-phenyl-methyl]piperazine
SMILES [?]:
Cc1ccc(c(c1)C(c2ccccc2)N3CCNCC3)OC
InChi [?]:
InChI=1/C19H24N2O/c1-15-8-9-18(22-2)17(14-15)19(16-6-4-3-5-7-16)21-12-10-20-11-13-21/h3-9,14,19-20H,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,12,11,13,10,14,3,4,17,19,16,20,7,2,9,6,5,8,18,15,21/E:(4,5)(6,7)(10,11)(12,13)/rA:22cCCCCCCCCCCCCCCNCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s8;s15;s16;s17;s18;s15s19;s5;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O |
All Atoms: | 46 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.65447 |
Area: | 489.835 |
Solvation: | -2.5914 |
Coulombic: | -24.0276 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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