4-(3'-Benzylphenyl)-3-(S)-iso-propyl-piperazine-1-carboxylic acid tert-butyl ester

HCID 69129869
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Basic information

Standard SMILES
CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccc(Cc2ccccc2)c1
InChIKey
PHZZAVUJHCKWJR-HSZRJFAPSA-N
Molecular formula
C25H34N2O2
Average molar mass
394.5 g/mol

Names & identifiers

Preferred name
4-(3'-Benzylphenyl)-3-(S)-iso-propyl-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl (3S)-4-(3-benzylphenyl)-3-propan-2-ylpiperazine-1-carboxylate

Names & synonyms

SCHEMBL4652268PHZZAVUJHCKWJR-HSZRJFAPSA-N4-(3'-Benzylphenyl)-3-(S)-iso-propyl-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
69129869

Properties

Computed structural properties

XLogP
6
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
29

Related reactions

6 records
New reaction record

Compound notes

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