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Benzyl 3-((tert-butoxycarbonyl)amino)-3-methylpiperidine-1-carboxylate

HCID 60205232
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC1(NC(=O)OC(C)(C)C)CCCN(C(=O)OCc2ccccc2)C1
InChIKey
ANZPQADKWPBRBT-UHFFFAOYSA-N
Molecular formula
C19H28N2O4
Average molar mass
348.4 g/mol

Names & identifiers

Preferred name
Benzyl 3-((tert-butoxycarbonyl)amino)-3-methylpiperidine-1-carboxylate
IUPAC
benzyl 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

Names & synonyms

Benzyl 3-((tert-butoxycarbonyl)amino)-3-methylpiperidine-1-carboxylate1196506-86-1SCHEMBL1467736ANZPQADKWPBRBT-UHFFFAOYSA-Nrac-benzyl 3-((tert-butoxycarbonyl)amino)-3-methylpiperidine-1-carboxylateDB-429491Benzyl 3-(tert-butoxycarbonylamino)-3-methylpiperidine-1-carboxylatebenzyl 3-(tert-butoxycarbonylamino)-3-methyl-piperidine-1-carboxylateBenzyl3-((tert-butoxycarbonyl)amino)-3-methylpiperidine-1-carboxylate

Database identifiers

PubChem CID
60205232

Properties

Computed structural propertiesFilling in

XLogP
3.1
Topological polar surface area
67.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Formal charge
0
Complexity
469

Related reactions

11 records
New reaction record
HRID 207642 reaction equation
HRID 207642As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 408125 reaction equation
HRID 408125As reactantuspto-grants-2014_06
HRID 408229 reaction equation
HRID 408229As reactantuspto-grants-2014_06
HRID 875610 reaction equation
HRID 875610As reactantuspto-grants-2015_03
HRID 875716 reaction equation
HRID 875716As reactantuspto-grants-2015_03
HRID 1034621 reaction equation
HRID 1034621As reactantuspto-grants-2013_10
HRID 1034720 reaction equation
HRID 1034720As reactantuspto-grants-2013_10
HRID 1923654 reaction equation
HRID 1923654As reactantuspto-grants-2012_05
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Compound notes

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