4-[3-(4-Chloro-phenoxy)-benzyl]-piperazine-1-carboxylic acid tert-butyl ester

HCID 67413541
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIKey
WGOLMYOPKITBTO-UHFFFAOYSA-N
Molecular formula
C22H27ClN2O3
Average molar mass
402.9 g/mol
Monoisotopic mass
402.1710204

Names & identifiers

Preferred name
4-[3-(4-Chloro-phenoxy)-benzyl]-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL2451021WGOLMYOPKITBTO-UHFFFAOYSA-N4-[3-(4-chloro-phenoxy)-benzyl]-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
67413541

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
42 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
28

Related reactions

5 records
New reaction record

Linked notes

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