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Chemical ID: 4192229
Chemical ID:
4192229
Name [?]:
(2-fluorophenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-methanone
SMILES [?]:
COc1cccc(c1)CN2CCN(CC2)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C19H21FN2O2/c1-24-16-6-4-5-15(13-16)14-21-9-11-22(12-10-21)19(23)17-7-2-3-8-18(17)20/h2-8,13H,9-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,5,6,4,19,22,11,15,12,14,8,9,7,3,18,23,16,24,10,13,17,2/E:(9,10)(11,12)/rA:24nCOCCCCCCCNCCNCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21FN2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.17772 |
Area: | 526.245 |
Solvation: | -4.97839 |
Coulombic: | -33.7659 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 328.381 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.0 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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