{2-[4-(4-Fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethyl}-carbamic Acid tert-butyl Ester

HCID 69655545
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Basic information

Standard SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)CNC(=O)OC(C)(C)C
InChIKey
VGXXVXMNLVEMSI-LSDHHAIUSA-N
Molecular formula
C20H30FN3O3
Average molar mass
379.5 g/mol

Names & identifiers

Preferred name
{2-[4-(4-Fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethyl}-carbamic Acid tert-butyl Ester
IUPAC
tert-butyl N-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]carbamate

Names & synonyms

SCHEMBL6076722VGXXVXMNLVEMSI-LSDHHAIUSA-N{2-[4-(4-Fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethyl}-carbamic Acid tert-butyl Ester

Database identifiers

PubChem CID
69655545

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
61.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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