chempirical

Ritalin

C14H20ClNO2CAS 298-59-9269.77 g/mol

Open in Covalent MOL file
OONHHCl
EsterSecondary amine

Properties

Molecular formula
C14H20ClNO2
Molar mass
269.77 g/mol
Exact mass
269.1183 Da
Melting point
224–226 °C
logP
2.51Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
298-59-9
SMILES
COC(=O)C(c1ccccc1)C1CCCCN1.Cl
InChIKey
JUMYIBMBTDDLNG-UHFFFAOYSA-N
InChI
InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H

Weigh it out

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

Names and synonyms

15 names · show all
  • 2-Piperidineacetic acid, α-phenyl-, methyl ester, hydrochloride (1:1)
  • 2-Piperidineacetic acid, α-phenyl-, methyl ester, hydrochloride
  • Centedrin
  • Methylphenidate hydrochloride
  • Methyl α-phenyl-2-piperidineacetate hydrochloride
  • Ritalin hydrochloride
  • Centedrine
  • Meridil
  • Metadate CD
  • Concerta
  • NSC 169868
  • Ritalin SR
  • Medikinet
  • Ritalin LA
  • Quillivant XR

Work with Ritalin

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

α-Phenyl-2-piperidineacetic acid19395-41-657 % similar (±)-Desoxypipradrol519-74-451 % similar D-Phenylglycine methyl ester hydrochloride19883-41-149 % similar Methyl prolinate hydrochloride2133-40-648 % similar (R)-Proline methyl ester hydrochloride65365-28-848 % similar Methyl pipecolinate41994-45-047 % similar (2S)-2-(Diphenylmethyl)pyrrolidine119237-64-845 % similar Methyl α-phenylbenzeneacetate3469-00-945 % similar

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

Same formula

Alachlor15972-60-8 Acetochlor34256-82-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook