RK4
Summary
Name: | 3-[(piperidin-1-yl)methyl]benzoic acid |
Formula: | C13 H17 N O2 |
Formal charge: | 0 |
Formula weight: | 219.28 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-[(piperidin-1-yl)methyl]benzoic acid |
OpenEye OEToolkits | 2.0.7 | 3-(piperidin-1-ylmethyl)benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CCN(CC1)Cc2cccc(C(=O)O)c2 |
InChI | InChI | 1.03 | InChI=1S/C13H17NO2/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,15,16) |
InChIKey | InChI | 1.03 | UIXWGRXBYZGOQK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(CN2CCCCC2)c1 |
SMILES | CACTVS | 3.385 | OC(=O)c1cccc(CN2CCCCC2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)CN2CCCCC2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)CN2CCCCC2 |