4-(piperidin-1-ylmethyl)benzoic acid hydrate

Systemtic Name: 4-(piperidin-1-ylmethyl)benzoic acid hydrate Openeye Name: 4-(1-piperidylmethyl)benzoic acid hydrate CAS Name: 4-(1-piperidinylmethyl)benzoic acid hydrate IUPAC Name: 4-(piperidin-1-ylmethyl)benzoic acid hydrate Traditional Name: 4-(piperidinomethyl)benzoic acid hydrate Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.O

InChI

InChI=1S/C13H17NO2.H2O/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;/h4-7H,1-3,8-10H2,(H,15,16);1H2