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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1CO- InChIKey
OKWDDQLIGHSFEA-HNNXBMFYSA-N- Molecular formula
- C18H26N2O5
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- (S)-4-benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate
- IUPAC
- 4-O-benzyl 1-O-tert-butyl (2S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate
Names & synonyms
385802-84-6(S)-4-benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate4-Benzyl 1-(tert-butyl) (S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate(S)-(1-Boc-4-Cbz-2-piperazinyl)methanol4-Benzyl 1-tert-butyl (2S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylateMFCD17676318(2S)-2-(Hydroxymethyl)piperazine-1(S)-1-Boc-4-Cbz-2-(hydroxymethyl)piperazineSCHEMBL6334954OKWDDQLIGHSFEA-HNNXBMFYSA-N(2S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl esterSY406101
Show more names
DB-328116CS-0137189H51906F618988(2S)-2-(hydroxymethyl)-piperazine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl ester(S)-2-Hydroxymethyl-piperazine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl ester1,4-Piperazinedicarboxylic acid, 2-(hydroxymethyl)-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester, (2S)-
Database identifiers
- PubChem CID
- 69745232
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Related reactions
4 records
Compound notes
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