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Chemical ID: 4172214
Chemical ID:
4172214
Name [?]:
1-[(2-ethoxyphenyl)methyl]-4-methyl-piperazine
SMILES [?]:
CCOc1ccccc1CN2CCN(CC2)C
InChi [?]:
InChI=1/C14H22N2O/c1-3-17-14-7-5-4-6-13(14)12-16-10-8-15(2)9-11-16/h4-7H,3,8-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,7,6,8,5,13,15,12,16,10,9,4,14,11,3/E:(8,9)(10,11)/rA:17nCCOCCCCCCCNCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.70337 |
Area: | 429.133 |
Solvation: | -3.02496 |
Coulombic: | -17.5786 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 234.337 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.75 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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