1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate

C11H20N2O4 — CID 165087485

IUPAC1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate
SMILESCCCCOC(=O)N1CCNC[C@@H]1C(=O)OC
InChIInChI=1S/C11H20N2O4/c1-3-4-7-17-11(15)13-6-5-12-8-9(13)10(14)16-2/h9,12H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyWDEOHMQHYGKTLZ-SECBINFHSA-N
MW244.29 g/mol
LogP0.37
Rot. Bonds4

About 1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate

1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate (PubChem CID 165087485) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate
PubChem CID165087485
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate
SMILESCCCCOC(=O)N1CCNC[C@@H]1C(=O)OC
InChIInChI=1S/C11H20N2O4/c1-3-4-7-17-11(15)13-6-5-12-8-9(13)10(14)16-2/h9,12H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyWDEOHMQHYGKTLZ-SECBINFHSA-N
XLogP0.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate
CID 11402671
1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
CID 2756819
methyl (2R)-1,4-diacetylpiperazine-2-carboxylate
CID 7161619
1-tert-butyl 3-methyl (3S)-piperazine-1,3-dicarboxylate
CID 1501855
1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate
CID 2756818
1-tert-Butyl 3-methyl (3R)-piperazine-1,3-dicarboxylate
CID 6558432
1-tert-Butyl 2-methyl (2R)-piperazine-1,2-dicarboxylate
CID 7009916
(S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester
CID 7016513
Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
(S)-methyl 6-oxopiperazine-2-carboxylate
CID 45082265
1-tert-Butyl 3-methyl 5-oxopiperazine-1,3-dicarboxylate
CID 59817704
Methyl 2-(piperazin-1-yl)butanoate
CID 61002490

Frequently Asked Questions

What is the IUPAC name of 1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate?
The IUPAC name of 1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate (CID 165087485) is 1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate?
The canonical SMILES for 1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate is CCCCOC(=O)N1CCNC[C@@H]1C(=O)OC.
What is the InChIKey of 1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate?
The InChIKey is WDEOHMQHYGKTLZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-4-7-17-11(15)13-6-5-12-8-9(13)10(14)16-2/h9,12H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate?
1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate is sourced from PubChem (CID 165087485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).