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Chemical ID: 6377027
Chemical ID:
6377027
Name [?]:
(2-fluorophenyl)-(4-methylpiperazin-1-yl)-methanone
SMILES [?]:
CN1CCN(CC1)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C12H15FN2O/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,3,7,4,6,10,15,8,16,2,5,9/E:(6,7)(8,9)/rA:16nCNCCNCCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15FN2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.32365 |
Area: | 381.297 |
Solvation: | -3.20876 |
Coulombic: | -25.6905 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 222.259 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.37 |
LogP (Chemaxon): | 1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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