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Chemical ID: 5000092
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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Experimental Annotations
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Descriptor Annotations
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