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Chemical ID: 5131355
Chemical ID:
5131355
Name [?]:
1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidine-4-carboxylic acid
SMILES [?]:
COc1cc(ccc1O)CN2CCC(CC2)C(=O)O
InChi [?]:
InChI=1/C14H19NO4/c1-19-13-8-10(2-3-12(13)16)9-15-6-4-11(5-7-15)14(17)18/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,7,13,15,12,16,4,10,5,14,8,3,17,11,9,18,19,2/E:(4,5)(6,7)(17,18)/rA:19nCOCCCCCCOCNCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s10;s11;s12;s13;s14;s11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.34437 |
Area: | 453.607 |
Solvation: | -4.99581 |
Coulombic: | -53.9658 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 265.305 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.2 |
LogP (Chemaxon): | -1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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