α-Phenyl-2-piperidineacetic acid

C13H17NO2CAS 19395-41-6219.28 g/mol

Open in Covalent MOL file
OOHNH
Carboxylic acidSecondary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

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)

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

Names and synonyms

6 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
  • 2-Piperidineacetic acid, alpha-phenyl-

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 2-Diphenylmethylpiperidine hydrochloride5807-81-851 % similar (3R)-3-Phenyl-L-proline118758-48-851 % similar (+)-Pipecolic acid1723-00-850 % similar Pipecolic acid3105-95-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Benzylpiperidine-4-carboxylic acid10315-07-8 Methyl N-benzyl-3-pyrrolidinecarboxylate17012-21-4 2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile20850-49-1 cis-3-Hexenyl anthranilate65405-76-7 Cyclohexyl anthranilate7779-16-0

Elsewhere

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