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Tert-butyl 4-(3-((methylsulfonyl)oxy)propyl)piperidine-1-carboxylate

HCID 21190098
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(CCCOS(C)(=O)=O)CC1
InChIKey
MWXGAKQEZKAERC-UHFFFAOYSA-N
Molecular formula
C14H27NO5S
Average molar mass
321.44 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-(3-((methylsulfonyl)oxy)propyl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-(3-methylsulfonyloxypropyl)piperidine-1-carboxylate

Names & synonyms

203859-94-33-(1-Boc-4-piperidyl)propyl methanesulfonatetert-butyl 4-(3-((methylsulfonyl)oxy)propyl)piperidine-1-carboxylateMFCD24465571tert-butyl 4-{3-[(methylsulfonyl)oxy]propyl}piperidine-1-carboxylatestarbld0020639SCHEMBL1295880MWXGAKQEZKAERC-UHFFFAOYSA-NSY274179DB-098818H496793-(1-tert-butoxycarbonyl-4-piperidyl)-1-propyl mesylate
Show more names
tert-butyl 4-(3-(methylsulfonyloxy)propyl)piperidine-1-carboxylate4-(3-Methanesulfonyloxypropyl)piperidine-1-carboxylic acid tert-butyl ester4-(3-methanesulfonyloxy-propyl)-piperidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
21190098

Properties

Computed structural properties

XLogP
2
Topological polar surface area
81.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
21
Formal charge
0
Complexity
427

Related reactions

19 records
New reaction record
HRID 189552 reaction equation
HRID 189552As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 605798 reaction equation
HRID 605798As productuspto-grants-2011_03
HRID 605799 reaction equation
HRID 605799As reactantuspto-grants-2011_03
HRID 646971 reaction equation
HRID 646971As reactantuspto-grants-2010_04
HRID 647001 reaction equation
HRID 647001As reactantuspto-grants-2010_04
HRID 660025 reaction equation
HRID 660025As reactantuspto-grants-2011_12
HRID 1125742 reaction equation
HRID 1125742As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1231251 reaction equation
HRID 1231251As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes