Chemical ID: 6366996

CCN1CCN(CC1)C(=O)c2ccccc2F
Chemical ID:
6366996
Name [?]:
(4-ethylpiperazin-1-yl)-(2-fluorophenyl)-methanone
SMILES [?]:
CCN1CCN(CC1)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C13H17FN2O/c1-2-15-7-9-16(10-8-15)13(17)11-5-3-4-6-12(11)14/h3-6H,2,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,14,12,15,4,8,5,7,11,16,9,17,3,6,10/E:(7,8)(9,10)/rA:17nCCNCCNCCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17FN2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.98731
Area:406.138
Solvation:-3.16615
Coulombic:-25.875
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:236.285
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.8
LogP (Chemaxon):1.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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