ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate

C15H28N2O4 — CID 86337386

IUPACditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCNC[C@@]1(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-13(2,3)20-11(18)15(7)10-16-8-9-17(15)12(19)21-14(4,5)6/h16H,8-10H2,1-7H3/t15-/m0/s1
InChIKeyDZQBIJYYGJGBQM-HNNXBMFYSA-N
MW300.40 g/mol
LogP1.93
Rot. Bonds1

About ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate

ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate (PubChem CID 86337386) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate
PubChem CID86337386
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCNC[C@@]1(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-13(2,3)20-11(18)15(7)10-16-8-9-17(15)12(19)21-14(4,5)6/h16H,8-10H2,1-7H3/t15-/m0/s1
InChIKeyDZQBIJYYGJGBQM-HNNXBMFYSA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 69456813
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate);oxalic acid
CID 134129817
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate
CID 178167079
tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
CID 141188760
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate
CID 141044506
tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate
CID 141122917
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate
CID 27281685
tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
CID 118705199

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate (CID 86337386) is ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate is CC(C)(C)OC(=O)N1CCNC[C@@]1(C)C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate?
The InChIKey is DZQBIJYYGJGBQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-13(2,3)20-11(18)15(7)10-16-8-9-17(15)12(19)21-14(4,5)6/h16H,8-10H2,1-7H3/t15-/m0/s1.
What are the key properties of ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate?
ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate is sourced from PubChem (CID 86337386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).