Chemical ID: 4493685

CCN1CCN(CC1)CCOc2cc(ccc2C)C
Chemical ID:
4493685
Name [?]:
1-[2-(2,5-dimethylphenoxy)ethyl]-4-ethyl-piperazine
SMILES [?]:
CCN1CCN(CC1)CCOc2cc(ccc2C)C
InChi [?]:
InChI=1/C16H26N2O/c1-4-17-7-9-18(10-8-17)11-12-19-16-13-14(2)5-6-15(16)3/h5-6,13H,4,7-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,2,15,16,4,8,5,7,9,10,13,14,17,12,3,6,11/E:(7,8)(9,10)/rA:19nCCNCCNCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.95931
Area:482.934
Solvation:-3.11405
Coulombic:-17.469
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:262.391
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.52
LogP (Chemaxon):2.85

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Descriptor Annotations

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