2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate

C11H24N2O3Si — CID 174092777

IUPAC2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCC[SiH](C)C)C[C@H]1CO
InChIInChI=1S/C11H24N2O3Si/c1-12-4-5-13(8-10(12)9-14)11(15)16-6-7-17(2)3/h10,14,17H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyNRXXIUOBMWTUTG-JTQLQIEISA-N
MW260.41 g/mol
LogP0.22
Rot. Bonds4

About 2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate

2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate (PubChem CID 174092777) has the molecular formula C11H24N2O3Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate
PubChem CID174092777
Molecular FormulaC11H24N2O3Si
Molecular Weight260.41 g/mol
Exact Mass260.16
IUPAC Name2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCC[SiH](C)C)C[C@H]1CO
InChIInChI=1S/C11H24N2O3Si/c1-12-4-5-13(8-10(12)9-14)11(15)16-6-7-17(2)3/h10,14,17H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyNRXXIUOBMWTUTG-JTQLQIEISA-N
XLogP0.22
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate?
The IUPAC name of 2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate (CID 174092777) is 2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate?
The canonical SMILES for 2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OCC[SiH](C)C)C[C@H]1CO.
What is the InChIKey of 2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate?
The InChIKey is NRXXIUOBMWTUTG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O3Si/c1-12-4-5-13(8-10(12)9-14)11(15)16-6-7-17(2)3/h10,14,17H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate?
2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate has a molecular weight of 260.41 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilylethyl (3S)-3-(hydroxymethyl)-4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 174092777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).