(R)-1-Boc-3-methylpiperazine
An ester, C10H20N2O2, 200.282 g/mol. Appears in 8 documented reactions.
Identifiers
- Molecular formula
- C₁₀H₂₀N₂O₂
- Molecular weight
- 200.282 g/mol
- Exact mass
- 200.152478 g/mol
- IUPAC name
- tert-butyl (3R)-3-methylpiperazine-1-carboxylate
- CC1CN(C(=O)OC(C)(C)C)CCN1
- C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1
- InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
- FMLPQHJYUZTHQS-MRVPVSSYSA-N
Calculated properties
- Molecular weight
- 200.28 g/mol
- Exact mass
- 200.152477885 Da
- XLogP3
- 0.9
- Polar surface area
- 41.6 Ų
- Complexity
- 211
- H-bond donors
- 1
- H-bond acceptors
- 3
- logP
- 1.2152
- Topological polar surface area
- 41.57 Ų
- H-bond donors
- 1
- H-bond acceptors
- 3
- Rotatable bonds
- 0
- Molar refractivity
- 55.2717 cm³/mol
- Fraction sp³ carbons
- 0.9
- QED drug-likeness
- 0.6389
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 14
- Total atoms, hydrogen included
- 34
- Rings
- 1
- Aromatic rings
- 0
- Stereocentres
- 1
- Formal charge
- 0
Functional groups
Ester
Amide
Ether
Secondary amine
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
8 documented reactions involve (R)-1-Boc-3-methylpiperazine, each with a written procedure and a source, and all of them are buchwald–hartwig amination. A few are shown.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a reactant
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a reactant
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a reactant
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Other names for it
The systematic name on this record is tert-butyl (3R)-3-methylpiperazine-1-carboxylate.
The sources also call it RefChem:407122, (R)-4-N-Boc-2-methylpiperazine, tert-butyl (3R)-3-methylpiperazine-1-carboxylate, (R)-4-Boc-2-methylpiperazine, (r)-1-boc-3-methyl-piperazine, (r)-4-n-boc-2-methyl-piperazine, (r)-tert-butyl 3-methylpiperazine-1-carboxylate, MFCD02683205, TERT-BUTYL (R)-3-METHYLPIPERAZINE-1-CARBOXYLATE, (r)-1-tert-butoxycarbonyl-3-methylpiperazine, (r)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester.
Structurally related
Molecules sharing this formula, or whose fingerprint is at least 40% similar to this one. Similarity is Tanimoto on Morgan fingerprints over this library only — it is a measure of structural overlap, not of how alike they behave.
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as (R)-1-Boc-3-methylpiperazine. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
Where these values came from
reference compound database2756811
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
Molar mass calculator
Work with C10H20N2O2 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of (R)-1-Boc-3-methylpiperazine for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.