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Chemical ID: 5143913
Chemical ID:
5143913
Name [?]:
1-[1-(4-pyridyl)ethyl]piperidine-2-carboxylic acid
SMILES [?]:
CC(c1ccncc1)N2CCCCC2C(=O)O
InChi [?]:
InChI=1/C13H18N2O2/c1-10(11-5-7-14-8-6-11)15-9-3-2-4-12(15)13(16)17/h5-8,10,12H,2-4,9H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,4,8,5,7,10,2,3,14,15,6,9,16,17/E:(5,6)(7,8)(16,17)/rA:17cCCCCCNCCNCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;s12;s9s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.18551 |
Area: | 380.637 |
Solvation: | -2.33042 |
Coulombic: | -37.3681 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.294 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.4 |
LogP (Chemaxon): | -1.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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