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Chemical ID: 5139922
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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