1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine

C11H22N2O — CID 176568662

IUPAC1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine
SMILESCCOCC1(CN2CCNCC2)CC1
InChIInChI=1S/C11H22N2O/c1-2-14-10-11(3-4-11)9-13-7-5-12-6-8-13/h12H,2-10H2,1H3
InChIKeyCFVBOCWVTWXFIM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds5

About 1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine

1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine (PubChem CID 176568662) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine
PubChem CID176568662
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine
SMILESCCOCC1(CN2CCNCC2)CC1
InChIInChI=1S/C11H22N2O/c1-2-14-10-11(3-4-11)9-13-7-5-12-6-8-13/h12H,2-10H2,1H3
InChIKeyCFVBOCWVTWXFIM-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine?
The IUPAC name of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine (CID 176568662) is 1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine?
The canonical SMILES for 1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine is CCOCC1(CN2CCNCC2)CC1.
What is the InChIKey of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine?
The InChIKey is CFVBOCWVTWXFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-14-10-11(3-4-11)9-13-7-5-12-6-8-13/h12H,2-10H2,1H3.
What are the key properties of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine?
1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperazine is sourced from PubChem (CID 176568662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).