Chemical ID: 4330905

Cc1ccc(cc1)C(=O)N2CCN(CC2)c3ccccn3
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

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Descriptor Annotations

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