Chemical identity

tert-Butyl(1-benzylpiperidin-3-yl)carbamate, (R)

CAS 454713-13-4 · C17H26N2O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-18817
PubChem CID25417446
Nametert-Butyl(1-benzylpiperidin-3-yl)carbamate, (R)
CAS RN454713-13-4
Molecular formulaC17H26N2O2
Molecular weight290.4 g/mol
IUPAC nameTert-butyl (R)-(1-benzylpiperidin-3-yl)carbamate
InChIKeyIJLXSEZUQISPRL-OAHLLOKOSA-N

02Structure identifiers

2D structurePubChem CID 25417446
Two-dimensional chemical structure of tert-Butyl(1-benzylpiperidin-3-yl)carbamate, (R), CAS 454713-13-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(C1)CC2=CC=CC=C2
InChINot listed
Formula from structureC17H26N2O2
Molecular weight from structure290.4 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

3 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 454713-13-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 454713-13-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Linagliptin

View API and impurity family

Other names

  • Linagliptin Impurity 79
  • tert-Butyl(1-benzylpiperidin-3-yl)carbamate, (R)-
  • 454713-13-4
  • BN4QGD9CZ5
  • RefChem:1099590
  • (R)-tert-Butyl (1-benzylpiperidin-3-yl)carbamate
  • (R)-1-BENZYL-3-N-BOC-AMINOPIPERIDINE
  • tert-Butyl (R)-(1-benzylpiperidin-3-yl)carbamate
  • MFCD07369848
  • TERT-BUTYL N-[(3R)-1-BENZYLPIPERIDIN-3-YL]CARBAMATE
  • SCHEMBL554777
  • tert-butyl N-[(3R)-1-benzyl-3-piperidyl]carbamate

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources