2-(2-methylprop-2-enoxymethyl)piperazine

C9H18N2O — CID 58625933

IUPAC2-(2-methylprop-2-enoxymethyl)piperazine
SMILESC=C(C)COCC1CNCCN1
InChIInChI=1S/C9H18N2O/c1-8(2)6-12-7-9-5-10-3-4-11-9/h9-11H,1,3-7H2,2H3
InChIKeyBRBYJVMYZXNIDG-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.14
Rot. Bonds4

About 2-(2-methylprop-2-enoxymethyl)piperazine

2-(2-methylprop-2-enoxymethyl)piperazine (PubChem CID 58625933) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxymethyl)piperazine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxymethyl)piperazine
PubChem CID58625933
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(2-methylprop-2-enoxymethyl)piperazine
SMILESC=C(C)COCC1CNCCN1
InChIInChI=1S/C9H18N2O/c1-8(2)6-12-7-9-5-10-3-4-11-9/h9-11H,1,3-7H2,2H3
InChIKeyBRBYJVMYZXNIDG-UHFFFAOYSA-N
XLogP0.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxymethyl)piperazine?
The IUPAC name of 2-(2-methylprop-2-enoxymethyl)piperazine (CID 58625933) is 2-(2-methylprop-2-enoxymethyl)piperazine.
What is the SMILES notation for 2-(2-methylprop-2-enoxymethyl)piperazine?
The canonical SMILES for 2-(2-methylprop-2-enoxymethyl)piperazine is C=C(C)COCC1CNCCN1.
What is the InChIKey of 2-(2-methylprop-2-enoxymethyl)piperazine?
The InChIKey is BRBYJVMYZXNIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2)6-12-7-9-5-10-3-4-11-9/h9-11H,1,3-7H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxymethyl)piperazine?
2-(2-methylprop-2-enoxymethyl)piperazine has a molecular weight of 170.26 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxymethyl)piperazine is sourced from PubChem (CID 58625933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).