4-(3-Amino-5-chloro-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester

HCID 59548867
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ncc(Cl)cc2N)CC1
InChIKey
HWSSBJGRIDFWRK-UHFFFAOYSA-N
Molecular formula
C14H21ClN4O2
Average molar mass
312.79 g/mol

Names & identifiers

Preferred name
4-(3-Amino-5-chloro-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-(3-amino-5-chloro-2-pyridinyl)piperazine-1-carboxylate

Names & synonyms

SCHEMBL111360HWSSBJGRIDFWRK-UHFFFAOYSA-N4-(3-amino-5-chloro-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
59548867

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
71.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

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4-(3-Amino-5-chloro-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester (HCID 59548867)｜Huagongshe