1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine

C11H22N2O — CID 68076579

IUPAC1-methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine
SMILESCC(=C)COCCN1CCN(CC1)C
InChIInChI=1S/C11H22N2O/c1-11(2)10-14-9-8-13-6-4-12(3)5-7-13/h1,4-10H2,2-3H3
InChIKeyWSSLFUCWNBZMTQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.20
Rot. Bonds5

About 1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine

1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine (PubChem CID 68076579) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine
PubChem CID68076579
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine
SMILESCC(=C)COCCN1CCN(CC1)C
InChIInChI=1S/C11H22N2O/c1-11(2)10-14-9-8-13-6-4-12(3)5-7-13/h1,4-10H2,2-3H3
InChIKeyWSSLFUCWNBZMTQ-UHFFFAOYSA-N
XLogP1.20
TPSA15.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity174

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine?
The IUPAC name of 1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine (CID 68076579) is 1-methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine.
What is the SMILES notation for 1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine?
The canonical SMILES for 1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine is CC(=C)COCCN1CCN(CC1)C.
What is the InChIKey of 1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine?
The InChIKey is WSSLFUCWNBZMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)10-14-9-8-13-6-4-12(3)5-7-13/h1,4-10H2,2-3H3.
What are the key properties of 1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine?
1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine has a molecular weight of 198.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine is sourced from PubChem (CID 68076579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).