Chemical ID: 5650651

c1cnccc1CN2CCC(CC2)C(=O)O
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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