Benzeneacetic acid, α-hydroxy-α-phenyl-, 1-methyl-3-piperidinyl ester

CAS Registry Number®

3321-80-0

CAS Name

Benzeneacetic acid, α-hydroxy-α-phenyl-, 1-methyl-3-piperidinyl ester

Molecular Formula

C20H23NO3

Molecular Mass

325.40

Cite this Page

Benzeneacetic acid, α-hydroxy-α-phenyl-, 1-methyl-3-piperidinyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3321-80-0 (retrieved 2024-11-22) (CAS RN: 3321-80-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    198-199 °C @ Press: 0.20 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H23NO3/c1-21-14-8-13-18(15-21)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18,23H,8,13-15H2,1H3

InChIKey

InChIKey=ZBEILXWHVSVDBN-UHFFFAOYSA-N

SMILES

C(C(OC1CN(C)CCC1)=O)(O)(C2=CC=CC=C2)C3=CC=CC=C3

Canonical SMILES

O=C(OC1CN(C)CCC1)C(O)(C=2C=CC=CC2)C=3C=CC=CC3

Other Names for this Substance

  • Benzeneacetic acid, α-hydroxy-α-phenyl-, 1-methyl-3-piperidinyl ester
  • Benzilic acid, 1-methyl-3-piperidyl ester
  • 3-Piperidinol, 1-methyl-, benzilate (ester)
  • JB 336
  • N-Methyl-3-hydroxypiperidine benzilate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration