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Tert-butyl 4-(6-chloropyrazin-2-ylamino)piperidine-1-carboxylate

HCID 53486077
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(Nc2cncc(Cl)n2)CC1
InChIKey
CXRBBVCJYYJQEV-UHFFFAOYSA-N
Molecular formula
C14H21ClN4O2
Average molar mass
312.79 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-(6-chloropyrazin-2-ylamino)piperidine-1-carboxylate
IUPAC
tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate

Names & synonyms

1147998-25-1tert-butyl 4-(6-chloropyrazin-2-ylamino)piperidine-1-carboxylatetert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylateTert-butyl 4-((6-chloropyrazin-2-yl)amino)piperidine-1-carboxylateSCHEMBL3504310CXRBBVCJYYJQEV-UHFFFAOYSA-NXVB99825MFCD16987541BP-20048DA-15272EN300-6197387tert-butyl4-(6-chloropyrazin-2-ylamino)piperidine-1-carboxylate
Show more names
2-Methyl-2-propanyl 4-[(6-chloro-2-pyrazinyl)amino]-1-piperidinecarboxylate

Database identifiers

PubChem CID
53486077

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
67.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
353

Related reactions

10 records
New reaction record
HRID 181871 reaction equation
HRID 181871As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 201025 reaction equation
HRID 201025As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 802365 reaction equation
HRID 802365As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 958736 reaction equation
HRID 958736As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1147545 reaction equation
HRID 1147545As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1926640 reaction equation
HRID 1926640As productuspto-grants-2012_05
HRID 1926641 reaction equation
HRID 1926641As reactantuspto-grants-2012_05
HRID 1926660 reaction equation
HRID 1926660As productuspto-grants-2012_05
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Compound notes

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