3-ethyl-1-methylpiperazine

C7H16N2 — CID 18464095

IUPAC3-ethyl-1-methylpiperazine
SMILESCCC1CN(C)CCN1
InChIInChI=1S/C7H16N2/c1-3-7-6-9(2)5-4-8-7/h7-8H,3-6H2,1-2H3
InChIKeyKZKZKKVCUTUIPF-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.30
Rot. Bonds1

About 3-ethyl-1-methylpiperazine

3-ethyl-1-methylpiperazine (PubChem CID 18464095) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-ethyl-1-methylpiperazine.

Molecular Properties

Compound Name3-ethyl-1-methylpiperazine
PubChem CID18464095
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3-ethyl-1-methylpiperazine
SMILESCCC1CN(C)CCN1
InChIInChI=1S/C7H16N2/c1-3-7-6-9(2)5-4-8-7/h7-8H,3-6H2,1-2H3
InChIKeyKZKZKKVCUTUIPF-UHFFFAOYSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpiperazine?
The IUPAC name of 3-ethyl-1-methylpiperazine (CID 18464095) is 3-ethyl-1-methylpiperazine.
What is the SMILES notation for 3-ethyl-1-methylpiperazine?
The canonical SMILES for 3-ethyl-1-methylpiperazine is CCC1CN(C)CCN1.
What is the InChIKey of 3-ethyl-1-methylpiperazine?
The InChIKey is KZKZKKVCUTUIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-7-6-9(2)5-4-8-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-1-methylpiperazine?
3-ethyl-1-methylpiperazine has a molecular weight of 128.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpiperazine is sourced from PubChem (CID 18464095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).