Chemical ID: 4195143

CC1CCN(CC1)c2ccc(cc2F)C(=O)C
Chemical ID:
4195143
Name [?]:
1-[3-fluoro-4-(4-methyl-1-piperidyl)-phenyl]ethanone
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2F)C(=O)C
InChi [?]:
InChI=1/C14H18FNO/c1-10-5-7-16(8-6-10)14-4-3-12(11(2)17)9-13(14)15/h3-4,9-10H,5-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,10,9,3,7,4,6,12,2,15,11,13,8,14,5,16/E:(5,6)(7,8)/rA:17nCCCCNCCCCCCCCFCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;s11;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18FNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.91503
Area:413.249
Solvation:-3.41621
Coulombic:-17.9419
Bond Count [?]
All:18
Single:14
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:235.297
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.6
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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