Chemical ID: 5131355

COc1cc(ccc1O)CN2CCC(CC2)C(=O)O
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

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