Chemical ID: 5830759

CCOc1ccc(cc1OC)CN2CCC(CC2)C(=O)O
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

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Descriptor Annotations

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