Chemical ID: 5113917

CCOc1ccccc1C(C)N2CCCC(C2)C(=O)O
Chemical ID:
5113917
Name [?]:
1-[1-(2-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
SMILES [?]:
CCOc1ccccc1C(C)N2CCCC(C2)C(=O)O
InChi [?]:
InChI=1/C16H23NO3/c1-3-20-15-9-5-4-8-14(15)12(2)17-10-6-7-13(11-17)16(18)19/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,11,2,7,6,14,15,8,5,13,17,10,16,9,4,18,12,19,20,3/E:(18,19)/rA:20cCCOCCCCCCCCNCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s10;s12;s13;s14;s15;s12s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:8.87508
Area:475.833
Solvation:-3.02074
Coulombic:-40.1471
Bond Count [?]
All:21
Single:17
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.359
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.55
LogP (Chemaxon):-0.02

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