(2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine

C13H26N2O — CID 104940335

IUPAC(2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine
SMILESC[C@H]1CNCCN1C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H26N2O/c1-10-9-14-6-7-15(10)11-8-12(2,3)16-13(11,4)5/h10-11,14H,6-9H2,1-5H3/t10-,11?/m0/s1
InChIKeyUIYKQZWBHJIUFN-VUWPPUDQSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds1

About (2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine

(2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine (PubChem CID 104940335) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine
PubChem CID104940335
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine
SMILESC[C@H]1CNCCN1C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H26N2O/c1-10-9-14-6-7-15(10)11-8-12(2,3)16-13(11,4)5/h10-11,14H,6-9H2,1-5H3/t10-,11?/m0/s1
InChIKeyUIYKQZWBHJIUFN-VUWPPUDQSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine?
The IUPAC name of (2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine (CID 104940335) is (2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine.
What is the SMILES notation for (2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine?
The canonical SMILES for (2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine is C[C@H]1CNCCN1C1CC(C)(C)OC1(C)C.
What is the InChIKey of (2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine?
The InChIKey is UIYKQZWBHJIUFN-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-9-14-6-7-15(10)11-8-12(2,3)16-13(11,4)5/h10-11,14H,6-9H2,1-5H3/t10-,11?/m0/s1.
What are the key properties of (2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine?
(2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine is sourced from PubChem (CID 104940335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).