Chemical ID: 4193817

c1cc(cc(c1)F)CN2CCN(CC2)Cc3cccnc3
Chemical ID:
4193817
Name [?]:
1-[(3-fluorophenyl)methyl]-4-(3-pyridylmethyl)piperazine
SMILES [?]:
c1cc(cc(c1)F)CN2CCN(CC2)Cc3cccnc3
InChi [?]:
InChI=1/C17H20FN3/c18-17-5-1-3-15(11-17)13-20-7-9-21(10-8-20)14-16-4-2-6-19-12-16/h1-6,11-12H,7-10,13-14H2
InChi Info:
AuxInfo=1/0/N:1,18,2,17,6,19,10,14,11,13,4,21,8,15,3,16,5,7,20,9,12/E:(7,8)(9,10)/rA:21nCCCCCCFCNCCNCCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20FN3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.72252
Area:483.309
Solvation:-3.3602
Coulombic:-19.116
Bond Count [?]
All:23
Single:17
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:285.359
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.04
LogP (Chemaxon):2.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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