(R)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine
Basic information
- CAS
1257855-72-3- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1CO- InChIKey
YFBKIGOBELWXJV-OAHLLOKOSA-N- Molecular formula
- C17H26N2O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1943427
Names & identifiers
- Preferred name
- (R)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine
- IUPAC
- tert-butyl (2R)-4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylate
- English name
- (R)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine
- Molecular formula
- C17H26N2O3
- Molecular weight
- 306.4
Names & synonyms
1257855-72-3(R)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine(R)-tert-Butyl 4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylateTert-butyl (R)-4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylateTERT-BUTYL (2R)-4-BENZYL-2-(HYDROXYMETHYL)PIPERAZINE-1-CARBOXYLATE(S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazineMFCD16659639AKOS022177071SY416093DB-362305CS-0443820(R)-(4-Benzyl-1-Boc-2-piperazinyl)methanol
Show more names
(2R)-2-(Hydroxymethyl)-4-(phenylmethyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester1-Piperazinecarboxylic acid, 2-(hydroxymethyl)-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2R)-
F767985(R)-tert-Butyl4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylate
Database identifiers
- CAS
1257855-72-3- PubChem CID
- 44182362
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 401.6 · 401.6±40.0 °C(Predicted)
- Density
- 1.123 · 1.123±0.06 g/cm3(Predicted)
- pka
- 14.97 · 14.97±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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