Chemical ID: 5000092

CCOc1ccccc1C(C)N2CCNCC2
Chemical ID:
5000092
Name [?]:
1-[1-(2-ethoxyphenyl)ethyl]piperazine
SMILES [?]:
CCOc1ccccc1C(C)N2CCNCC2
InChi [?]:
InChI=1/C14H22N2O/c1-3-17-14-7-5-4-6-13(14)12(2)16-10-8-15-9-11-16/h4-7,12,15H,3,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,6,8,5,14,16,13,17,10,9,4,15,12,3/E:(8,9)(10,11)/rA:17cCCOCCCCCCCCNCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s10;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.38132
Area:425.078
Solvation:-2.24563
Coulombic:-22.4487
Bond Count [?]
All:18
Single:15
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.337
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.04
LogP (Chemaxon):1.88

Name Annotations

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Descriptor Annotations

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