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Chemical ID: 4330905
Chemical ID:
4330905
Name [?]:
p-tolyl-[4-(2-pyridyl)piperazin-1-yl]-methanone
SMILES [?]:
Cc1ccc(cc1)C(=O)N2CCN(CC2)c3ccccn3
InChi [?]:
InChI=1/C17H19N3O/c1-14-5-7-15(8-6-14)17(21)20-12-10-19(11-13-20)16-4-2-3-9-18-16/h2-9H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,3,7,4,6,20,12,14,11,15,2,5,16,8,21,13,10,9/E:(5,6)(7,8)(10,11)(12,13)/rA:21nCCCCCCCCONCCNCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15473 |
Area: | 475.8 |
Solvation: | -2.74028 |
Coulombic: | -30.1093 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.352 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.29 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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