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Chemical ID: 4241980
Chemical ID:
4241980
Name [?]:
[4-(4-methoxyphenyl)piperazin-1-yl]-(m-tolyl)methanone
SMILES [?]:
Cc1cccc(c1)C(=O)N2CCN(CC2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H22N2O2/c1-15-4-3-5-16(14-15)19(22)21-12-10-20(11-13-21)17-6-8-18(23-2)9-7-17/h3-9,14H,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,4,3,5,17,21,18,20,12,14,11,15,7,2,6,16,19,8,13,10,9,22/E:(6,7)(8,9)(10,11)(12,13)/rA:23nCCCCCCCCONCCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18116 |
Area: | 517.553 |
Solvation: | -3.75767 |
Coulombic: | -32.0091 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 310.39 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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