Chemical ID: 7243036

c1ccc(c(c1)N2CCN(CC2)C(=O)c3ccc(cc3)N)F
Chemical ID:
7243036
Name [?]:
(4-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]-methanone
SMILES [?]:
c1ccc(c(c1)N2CCN(CC2)C(=O)c3ccc(cc3)N)F
InChi [?]:
InChI=1/C17H18FN3O/c18-15-3-1-2-4-16(15)20-9-11-21(12-10-20)17(22)13-5-7-14(19)8-6-13/h1-8H,9-12,19H2
InChi Info:
AuxInfo=1/0/N:2,1,3,6,16,20,17,19,8,12,9,11,15,18,4,5,13,22,21,7,10,14/E:(5,6)(7,8)(9,10)(11,12)/rA:22nCCCCCCNCCNCCCOCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18FN3O
All Atoms:40
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:8.3689
Area:484.519
Solvation:-3.74407
Coulombic:-45.1966
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.72
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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