α-Phenyl-2-piperidineacetic acid

C₁₃H₁₇NO₂CAS 19395-41-6219.28 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₁₃H₁₇NO₂
Molar mass: 219.28 g/mol
Exact mass: 219.1259 Da
Melting point: 248 °C (decomposes)
logP: 2.00Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

19395-41-6

SMILES

O=C(O)C(c1ccccc1)C1CCCCN1

InChIKey

INGSNVSERUZOAK-UHFFFAOYSA-N

InChI

InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

2-Piperidineacetic acid, α-phenyl-
Ritalinic acid
Rilatinic acid
2-Phenyl-2-(piperidin-2-yl)acetic acid
2-Phenyl-2-piperidin-2-ylacetic acid

Work with α-Phenyl-2-piperidineacetic 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

2-Cyclopentyl-2-phenylacetic acid3900-93-463 % similar Cyclohexylphenylacetic acid3894-09-562 % similar Ritalin298-59-957 % similar (±)-Desoxypipradrol519-74-455 % similar (3R)-3-Phenyl-L-proline118758-48-851 % similar (+)-Pipecolic acid1723-00-850 % similar Pipecolic acid3105-95-150 % similar 3-Methyl-2-phenylbutanoic acid3508-94-950 % similar

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

Same formula

1-(Phenylmethyl)-4-piperidinecarboxylic acid10315-07-8 2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile20850-49-1 cis-3-Hexenyl anthranilate65405-76-7 Cyclohexyl anthranilate7779-16-0

Elsewhere

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