Chemical ID: 4739506

c1ccc(c(c1)C(=O)O)N2CCCCC2
Chemical ID:
4739506
Name [?]:
2-(1-piperidyl)benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)N2CCCCC2
InChi [?]:
InChI=1/C12H15NO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:13,1,2,12,14,6,3,11,15,5,4,7,10,8,9/E:(4,5)(8,9)(14,15)/rA:15nCCCCCCCOONCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.97504
Area:367.074
Solvation:-2.2018
Coulombic:-34.3351
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.253
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.71
LogP (Chemaxon):2.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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