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Chemical ID: 4405148
Chemical ID:
4405148
Name [?]:
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbaldehyde
SMILES [?]:
COc1ccccc1OCC(=O)N2CCN(CC2)C=O
InChi [?]:
InChI=1/C14H18N2O4/c1-19-12-4-2-3-5-13(12)20-10-14(18)16-8-6-15(11-17)7-9-16/h2-5,11H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,7,15,17,14,18,10,19,3,8,11,16,13,20,12,2,9/E:(6,7)(8,9)/rA:20nCOCCCCCCOCCONCCNCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.92528 |
Area: | 478.22 |
Solvation: | -8.03021 |
Coulombic: | -43.7901 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 278.304 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.09 |
LogP (Chemaxon): | -0.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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