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Chemical ID: 5650651
Chemical ID:
5650651
Name [?]:
1-(4-pyridylmethyl)piperidine-4-carboxylic acid
SMILES [?]:
c1cnccc1CN2CCC(CC2)C(=O)O
InChi [?]:
InChI=1/C12H16N2O2/c15-12(16)11-3-7-14(8-4-11)9-10-1-5-13-6-2-10/h1-2,5-6,11H,3-4,7-9H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,10,12,2,4,9,13,7,6,11,14,3,8,15,16/E:(1,2)(3,4)(5,6)(7,8)(15,16)/rA:16nCCNCCCCNCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.93648 |
Area: | 400.513 |
Solvation: | -3.07634 |
Coulombic: | -34.9212 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.44 |
LogP (Chemaxon): | -2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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