Chemical ID: 6365063

Cc1ccc(cc1C)C(=O)N2CCN(CC2)c3ccccc3F
Chemical ID:
6365063
Name [?]:
(3,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]-methanone
SMILES [?]:
Cc1ccc(cc1C)C(=O)N2CCN(CC2)c3ccccc3F
InChi [?]:
InChI=1/C19H21FN2O/c1-14-7-8-16(13-15(14)2)19(23)22-11-9-21(10-12-22)18-6-4-3-5-17(18)20/h3-8,13H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,20,19,21,18,3,4,13,15,12,16,6,2,7,5,22,17,9,23,14,11,10/E:(9,10)(11,12)/rA:23nCCCCCCCCCONCCNCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21FN2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.16271
Area:505.697
Solvation:-3.47972
Coulombic:-29.4215
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:312.381
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.41
LogP (Chemaxon):4.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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