(2S,5R)-4-(3-chloro-propyl)-2,5-dimethyl-piperazine-1-carboxylic acid tert-butyl ester

HCID 57722505
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Basic information

Standard SMILES
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CCCCl
InChIKey
RZWNWHWOHQPPGT-NEPJUHHUSA-N
Molecular formula
C14H27ClN2O2
Average molar mass
290.83 g/mol

Names & identifiers

Preferred name
(2S,5R)-4-(3-chloro-propyl)-2,5-dimethyl-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl (2S,5R)-4-(3-chloropropyl)-2,5-dimethylpiperazine-1-carboxylate

Names & synonyms

SCHEMBL3987297RZWNWHWOHQPPGT-NEPJUHHUSA-N(2S,5R)-4-(3-chloro-propyl)-2,5-dimethyl-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
57722505

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19

Related reactions

1 records
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Compound notes

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