HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

1-t-Butyloxycarbonyl-3-hydroxy-2-phenylpiperidine

HCID 21584093
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCC(O)C1c1ccccc1
InChIKey
ATJRDIDZQTXJLY-UHFFFAOYSA-N
Molecular formula
C16H23NO3
Average molar mass
277.36 g/mol

Names & identifiers

Preferred name
1-t-Butyloxycarbonyl-3-hydroxy-2-phenylpiperidine
IUPAC
tert-butyl 3-hydroxy-2-phenylpiperidine-1-carboxylate

Names & synonyms

1-t-butyloxycarbonyl-3-hydroxy-2-phenylpiperidineSCHEMBL8121365ATJRDIDZQTXJLY-UHFFFAOYSA-N1-t-butoxycarbonyl-3-hydroxy-2-phenyl piperidinetert-butyl 3-hydroxy-2-phenylpiperidine-1-carboxylate(+/-)1-tert-butoxycarbonyl-3-hydroxy-2-phenylpiperidine

Database identifiers

PubChem CID
21584093

Properties

Computed structural propertiesFilling in

XLogP
2.5
Topological polar surface area
49.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
331

Related reactions

12 records
New reaction record
HRID 169608 reaction equation
HRID 169608As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 960090 reaction equation
HRID 960090As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1107274 reaction equation
HRID 1107274As reactantuspto-grants-2000_05
HRID 1208762 reaction equation
HRID 1208762As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1238550 reaction equation
HRID 1238550As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1439939 reaction equation
HRID 1439939As reactantuspto-grants-1996_03
HRID 1757238 reaction equation
HRID 1757238As reactantuspto-grants-1995_08
HRID 2148339 reaction equation
HRID 2148339As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes