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Chemical ID: 5830759
Chemical ID:
5830759
Name [?]:
1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-4-carboxylic acid
SMILES [?]:
CCOc1ccc(cc1OC)CN2CCC(CC2)C(=O)O
InChi [?]:
InChI=1/C16H23NO4/c1-3-21-14-5-4-12(10-15(14)20-2)11-17-8-6-13(7-9-17)16(18)19/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,5,15,17,14,18,8,12,7,16,4,9,19,13,20,21,10,3/E:(6,7)(8,9)(18,19)/rA:21nCCOCCCCCCOCCNCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;s14;s15;s16;s13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.79632 |
Area: | 503.712 |
Solvation: | -5.79648 |
Coulombic: | -45.0339 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 293.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.67 |
LogP (Chemaxon): | -0.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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