1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate

C15H28N2O5 — CID 11544213

IUPAC1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate
SMILESCC(C)(C)COC(=O)N1CCN(C(=O)OC(C)(C)CO)CC1
InChIInChI=1S/C15H28N2O5/c1-14(2,3)11-21-12(19)16-6-8-17(9-7-16)13(20)22-15(4,5)10-18/h18H,6-11H2,1-5H3
InChIKeyABYGIOIXOBZHHY-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.69
Rot. Bonds3

About 1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate

1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate (PubChem CID 11544213) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate
PubChem CID11544213
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate
SMILESCC(C)(C)COC(=O)N1CCN(C(=O)OC(C)(C)CO)CC1
InChIInChI=1S/C15H28N2O5/c1-14(2,3)11-21-12(19)16-6-8-17(9-7-16)13(20)22-15(4,5)10-18/h18H,6-11H2,1-5H3
InChIKeyABYGIOIXOBZHHY-UHFFFAOYSA-N
XLogP1.69
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate
CID 159012212
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
tert-butyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 57420345
2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 129103300
(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate
CID 70917063
2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate
CID 70108201
tert-butyl 2-(4-methylpiperazin-1-yl)acetate;bis(tert-butyl 2-piperidin-1-ylacetate);2,2-dimethylpropyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethylpropyl piperidine-1-carboxylate);methane
CID 159184307
tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate
CID 15718283
2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 50983601
2,2-dimethylpropyl 4-(1H-imidazol-5-ylmethyl)piperazine-1-carboxylate
CID 159801714
(2-methyl-4-oxopentan-2-yl) piperidine-1-carboxylate
CID 70112881
tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride
CID 54759044

Frequently Asked Questions

What is the IUPAC name of 1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate?
The IUPAC name of 1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate (CID 11544213) is 1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate?
The canonical SMILES for 1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate is CC(C)(C)COC(=O)N1CCN(C(=O)OC(C)(C)CO)CC1.
What is the InChIKey of 1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate?
The InChIKey is ABYGIOIXOBZHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-14(2,3)11-21-12(19)16-6-8-17(9-7-16)13(20)22-15(4,5)10-18/h18H,6-11H2,1-5H3.
What are the key properties of 1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate?
1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate has a molecular weight of 316.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate is sourced from PubChem (CID 11544213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).