tert-Butyl 4-((2-chloro-5-phenylpyridin-4-ylamino)methyl)piperidine-1-carboxylate

HCID 59613323
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)ncc2-c2ccccc2)CC1
InChIKey
KUUJABXLCBMKJX-UHFFFAOYSA-N
Molecular formula
C22H28ClN3O2
Average molar mass
401.9 g/mol
Monoisotopic mass
401.1870048

Names & identifiers

Preferred name
tert-Butyl 4-((2-chloro-5-phenylpyridin-4-ylamino)methyl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-[[(2-chloro-5-phenyl-4-pyridinyl)amino]methyl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL620313KUUJABXLCBMKJX-UHFFFAOYSA-Ntert-Butyl 4-((2-chloro-5-phenylpyridin-4-ylamino)methyl)piperidine-1-carboxylate

Database identifiers

PubChem CID
59613323

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
54.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
28

Related reactions

3 records
New reaction record

Compound notes

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