2,2-diethyl-1-methylpiperazine

C9H20N2 — CID 18770859

IUPAC2,2-diethyl-1-methylpiperazine
SMILESCCC1(CC)CNCCN1C
InChIInChI=1S/C9H20N2/c1-4-9(5-2)8-10-6-7-11(9)3/h10H,4-8H2,1-3H3
InChIKeyOIQMWBYTTUEFTR-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds2

About 2,2-diethyl-1-methylpiperazine

2,2-diethyl-1-methylpiperazine (PubChem CID 18770859) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,2-diethyl-1-methylpiperazine.

Molecular Properties

Compound Name2,2-diethyl-1-methylpiperazine
PubChem CID18770859
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2,2-diethyl-1-methylpiperazine
SMILESCCC1(CC)CNCCN1C
InChIInChI=1S/C9H20N2/c1-4-9(5-2)8-10-6-7-11(9)3/h10H,4-8H2,1-3H3
InChIKeyOIQMWBYTTUEFTR-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-1-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-methylpiperazine?
The IUPAC name of 2,2-diethyl-1-methylpiperazine (CID 18770859) is 2,2-diethyl-1-methylpiperazine.
What is the SMILES notation for 2,2-diethyl-1-methylpiperazine?
The canonical SMILES for 2,2-diethyl-1-methylpiperazine is CCC1(CC)CNCCN1C.
What is the InChIKey of 2,2-diethyl-1-methylpiperazine?
The InChIKey is OIQMWBYTTUEFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-9(5-2)8-10-6-7-11(9)3/h10H,4-8H2,1-3H3.
What are the key properties of 2,2-diethyl-1-methylpiperazine?
2,2-diethyl-1-methylpiperazine has a molecular weight of 156.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-methylpiperazine is sourced from PubChem (CID 18770859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).