3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine

C12H24N2O2 — CID 123975985

IUPAC3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine
SMILESCC1CN(CC2OC2OC(C)(C)C)CCN1
InChIInChI=1S/C12H24N2O2/c1-9-7-14(6-5-13-9)8-10-11(15-10)16-12(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeySYCVKDSFFORVFU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.82
Rot. Bonds3

About 3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine

3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine (PubChem CID 123975985) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine
PubChem CID123975985
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine
SMILESCC1CN(CC2OC2OC(C)(C)C)CCN1
InChIInChI=1S/C12H24N2O2/c1-9-7-14(6-5-13-9)8-10-11(15-10)16-12(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeySYCVKDSFFORVFU-UHFFFAOYSA-N
XLogP0.82
TPSA37.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine?
The IUPAC name of 3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine (CID 123975985) is 3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine?
The canonical SMILES for 3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine is CC1CN(CC2OC2OC(C)(C)C)CCN1.
What is the InChIKey of 3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine?
The InChIKey is SYCVKDSFFORVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-7-14(6-5-13-9)8-10-11(15-10)16-12(2,3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine?
3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine has a molecular weight of 228.34 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine is sourced from PubChem (CID 123975985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).