Chemical ID: 6377027

CN1CCN(CC1)C(=O)c2ccccc2F
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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