1-Phenylpiperidine-2-carboxylic acid

C₁₂H₁₅NO₂CAS 743422-75-5205.26 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₂H₁₅NO₂
Molar mass: 205.26 g/mol
Exact mass: 205.1103 Da
logP: 2.13Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 2
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

743422-75-5

SMILES

C1CCN(C(C1)C(=O)O)C2=CC=CC=C2

InChIKey

MNJZHPAZVGUHNU-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO2/c14-12(15)11-8-4-5-9-13(11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)

Weigh it out

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Work with 1-Phenylpiperidine-2-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-Cbz-2-piperidinecarboxylic acid28697-07-654 % similar (D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-854 % similar 1-Carbobenzoxy-2-piperidinecarboxylic Acid71170-88-254 % similar N-Methyl-D-pipecolic acid41447-17-050 % similar Benzyloxycarbonyl-L-proline1148-11-449 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-549 % similar 2-Cyclopentyl-2-phenylacetic acid3900-93-448 % similar D-Fmoc-pipecolic acid101555-63-947 % similar

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

Same formula

N-Phenyl-isobutyloylacetamide124401-38-3 Methyl 4-pyrrolidin-1-ylbenzoate129414-26-2 1-Benzyl-2-(methoxycarbonyl)azetidine18085-37-5 4-Piperidin-1-yl-benzoic acid22090-24-0 3,4-Diethoxybenzeneacetonitrile27472-21-5 N-Benzyl-L-proline31795-93-4 4-Phenyl-4-piperidinecarboxylic acid3627-45-0 4′-Morpholinoacetophenone39910-98-0

Elsewhere

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