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1-Tert-butyl 4-methyl 4-(tert-butoxycarbonylamino)piperidine-1,4-dicarboxylate

HCID 57750356
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C1(NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1
InChIKey
VGWQHSKANQYSRC-UHFFFAOYSA-N
Molecular formula
C17H30N2O6
Average molar mass
358.4 g/mol

Names & identifiers

Preferred name
1-Tert-butyl 4-methyl 4-(tert-butoxycarbonylamino)piperidine-1,4-dicarboxylate
IUPAC
1-O-tert-butyl 4-O-methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1,4-dicarboxylate

Names & synonyms

1-(tert-Butyl) 4-methyl 4-((tert-butoxycarbonyl)amino)piperidine-1,4-dicarboxylate1143534-94-4SCHEMBL392092VGWQHSKANQYSRC-UHFFFAOYSA-N1-tert-butyl 4-methyl 4-(tert-butoxycarbonylamino)piperidine-1,4-dicarboxylate

Database identifiers

PubChem CID
57750356

Properties

Computed structural propertiesFilling in

XLogP
2.1
Topological polar surface area
94.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
25
Formal charge
0
Complexity
510

Related reactions

2 records
New reaction record
HRID 116625 reaction equation
HRID 116625As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 423084 reaction equation
HRID 423084As reactantuspto-grants-2012_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes