Chemical ID: 5139922

Cc1ccc(cc1)C(C)N2CCCCC2C(=O)O
Chemical ID:
5139922
Name [?]:
1-[1-(p-tolyl)ethyl]piperidine-2-carboxylic acid
SMILES [?]:
Cc1ccc(cc1)C(C)N2CCCCC2C(=O)O
InChi [?]:
InChI=1/C15H21NO2/c1-11-6-8-13(9-7-11)12(2)16-10-4-3-5-14(16)15(17)18/h6-9,12,14H,3-5,10H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,9,13,12,14,3,7,4,6,11,2,8,5,15,16,10,17,18/E:(6,7)(8,9)(17,18)/rA:18cCCCCCCCCCNCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s8;s10;s11;s12;s13;s10s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:3
ZAP Information [?]
Total:8.74277
Area:418.223
Solvation:-1.71281
Coulombic:-34.6669
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.333
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.08
LogP (Chemaxon):0.61

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