1-(2-methoxyethyl)-3,3-dimethylpiperazine

C9H20N2O — CID 64833037

IUPAC1-(2-methoxyethyl)-3,3-dimethylpiperazine
SMILESCOCCN1CCNC(C)(C)C1
InChIInChI=1S/C9H20N2O/c1-9(2)8-11(5-4-10-9)6-7-12-3/h10H,4-8H2,1-3H3
InChIKeyWABUYNGRIUGNEG-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds3

About 1-(2-methoxyethyl)-3,3-dimethylpiperazine

1-(2-methoxyethyl)-3,3-dimethylpiperazine (PubChem CID 64833037) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,3-dimethylpiperazine
PubChem CID64833037
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(2-methoxyethyl)-3,3-dimethylpiperazine
SMILESCOCCN1CCNC(C)(C)C1
InChIInChI=1S/C9H20N2O/c1-9(2)8-11(5-4-10-9)6-7-12-3/h10H,4-8H2,1-3H3
InChIKeyWABUYNGRIUGNEG-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(2-methoxyethyl)-3,3-dimethylpiperazine (CID 64833037) is 1-(2-methoxyethyl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(2-methoxyethyl)-3,3-dimethylpiperazine is COCCN1CCNC(C)(C)C1.
What is the InChIKey of 1-(2-methoxyethyl)-3,3-dimethylpiperazine?
The InChIKey is WABUYNGRIUGNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2)8-11(5-4-10-9)6-7-12-3/h10H,4-8H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-3,3-dimethylpiperazine?
1-(2-methoxyethyl)-3,3-dimethylpiperazine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,3-dimethylpiperazine is sourced from PubChem (CID 64833037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).