chempirical

1-(Pyridin-4-yl)piperidine-4-carboxylic acid

C11H14N2O2CAS 93913-86-1206.25 g/mol

Open in Covalent MOL file
NOHON
Carboxylic acidTertiary amine

Properties

Molecular formula
C11H14N2O2
Molar mass
206.25 g/mol
Exact mass
206.1055 Da
logP
1.38Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
93913-86-1
SMILES
C1CN(CCC1C(=O)O)C2=CC=NC=C2
InChIKey
UISWRUUBFFHGLE-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)

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Names and synonyms

1 names
  • 1-(Pyridin-4-yl)-piperidine-4-carboxylic acid

Work with 1-(Pyridin-4-yl)piperidine-4-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2-Pyrimidinyl)-4-piperidinecarboxylic acid303144-44-759 % similar 1-Methyl-piperidine-4-carboxylic acid68947-43-350 % similar 5'-Trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid406476-31-148 % similar 1-Benzylpiperidine-4-carboxylic acid10315-07-848 % similar 4-Pyrrolidinylpyridine2456-81-747 % similar 1-Benzoylpiperidine-4-carboxylic acid5274-99-747 % similar 1-Methylisonipecotic acid hydrochloride71985-80-346 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-2 Dimezone S13047-13-7 1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile39108-47-9 (4-Aminophenyl)(morpholino)methanone51207-86-4 1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline57883-28-0 1-(4-Nitrophenyl)piperidine6574-15-8 Phenylethylmalonamide7206-76-0 N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide86847-64-5

Elsewhere

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