Tert-butyl 1'-[4-(methylsulfonyl)phenyl]-4,4'-bipiperidine-1-carboxylate

HCID 24822706
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(C2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)CC1
InChIKey
YERQPNCASYFOJZ-UHFFFAOYSA-N
Molecular formula
C22H34N2O4S
Average molar mass
422.6 g/mol
Monoisotopic mass
422.22392874

Names & identifiers

Preferred name
Tert-butyl 1'-[4-(methylsulfonyl)phenyl]-4,4'-bipiperidine-1-carboxylate
IUPAC
tert-butyl 4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidine-1-carboxylate

Names & synonyms

CHEMBL1771068SCHEMBL3486452YERQPNCASYFOJZ-UHFFFAOYSA-NBDBM50342668DB-145197tert-butyl 1'-[4-(methylsulfonyl)phenyl]-4,4'-bipiperidine-1-carboxylatetert-butyl 1''-(4-(methylsulfonyl)phenyl)-4,4''-bipiperidine-1-carboxylateTert-butyl 4-(1-(4-(methylsulfonyl)phenyl)piperidin-4-yl)piperidine-1-carboxylate1034822-26-8

Database identifiers

PubChem CID
24822706
ChEMBL
CHEMBL1771068

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
75.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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