Chemical ID: 7025063

CCN1CCN(CC1)C(=O)COc2ccc(cc2)C
Chemical ID:
7025063
Name [?]:
1-(4-ethylpiperazin-1-yl)-2-(4-methylphenoxy)-ethanone
SMILES [?]:
CCN1CCN(CC1)C(=O)COc2ccc(cc2)C
InChi [?]:
InChI=1/C15H22N2O2/c1-3-16-8-10-17(11-9-16)15(18)12-19-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,15,17,14,18,4,8,5,7,11,16,13,9,3,6,10,12/E:(4,5)(6,7)(8,9)(10,11)/rA:19nCCNCCNCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O2
All Atoms:41
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.64199
Area:471.216
Solvation:-4.13841
Coulombic:-28.6525
Bond Count [?]
All:20
Single:16
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:262.347
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.75
LogP (Chemaxon):1.57

Name Annotations

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Descriptor Annotations

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