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Chemical ID: 4288574
Chemical ID:
4288574
Name [?]:
1-ethyl-4-[(4-hexoxyphenyl)methyl]piperazine
SMILES [?]:
CCCCCCOc1ccc(cc1)CN2CCN(CC2)CC
InChi [?]:
InChI=1/C19H32N2O/c1-3-5-6-7-16-22-19-10-8-18(9-11-19)17-21-14-12-20(4-2)13-15-21/h8-11H,3-7,12-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,3,4,5,10,12,9,13,17,19,16,20,6,14,11,8,18,15,7/E:(8,9)(10,11)(12,13)(14,15)/rA:22nCCCCCCOCCCCCCCNCCNCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;s17;s18;s15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3777 |
Area: | 565.852 |
Solvation: | -2.76858 |
Coulombic: | -19.3812 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 304.47 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.24 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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