Chemical ID: 4123437

c1cc(ccc1OCC(=O)N2CCNCC2)Cl
Chemical ID:
4123437
Name [?]:
2-(4-chlorophenoxy)-1-piperazin-1-yl-ethanone
SMILES [?]:
c1cc(ccc1OCC(=O)N2CCNCC2)Cl
InChi [?]:
InChI=1/C12H15ClN2O2/c13-10-1-3-11(4-2-10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,13,15,12,16,8,3,6,9,17,14,11,10,7/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCCCCCOCCONCCNCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15ClN2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.82775
Area:440.995
Solvation:-4.19712
Coulombic:-32.2047
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:254.712
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.28
LogP (Chemaxon):0.92

Name Annotations

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Descriptor Annotations

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