Chemical ID: 4182492

c1ccc(cc1)CN2CCN(CC2)C(=O)c3ccccc3F
Chemical ID:
4182492
Name [?]:
(4-benzylpiperazin-1-yl)-(2-fluorophenyl)-methanone
SMILES [?]:
c1ccc(cc1)CN2CCN(CC2)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C18H19FN2O/c19-17-9-5-4-8-16(17)18(22)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,19,3,5,17,20,9,13,10,12,7,4,16,21,14,22,8,11,15/E:(2,3)(6,7)(10,11)(12,13)/rA:22nCCCCCCCNCCNCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19FN2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.5688
Area:488.264
Solvation:-3.6378
Coulombic:-27.4852
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.355
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.08
LogP (Chemaxon):2.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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