3-ethyl-1-methylpiperazine;hydrochloride

C7H17ClN2 — CID 138111979

IUPAC3-ethyl-1-methylpiperazine;hydrochloride
SMILESCCC1CN(C)CCN1.Cl
InChIInChI=1S/C7H16N2.ClH/c1-3-7-6-9(2)5-4-8-7;/h7-8H,3-6H2,1-2H3;1H
InChIKeyMFVIIFUXRASKAW-UHFFFAOYSA-N
MW164.68 g/mol
LogP0.72
Rot. Bonds1

About 3-ethyl-1-methylpiperazine;hydrochloride

3-ethyl-1-methylpiperazine;hydrochloride (PubChem CID 138111979) has the molecular formula C7H17ClN2 and a molecular weight of 164.68 g/mol. Its IUPAC name is 3-ethyl-1-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name3-ethyl-1-methylpiperazine;hydrochloride
PubChem CID138111979
Molecular FormulaC7H17ClN2
Molecular Weight164.68 g/mol
Exact Mass164.11
IUPAC Name3-ethyl-1-methylpiperazine;hydrochloride
SMILESCCC1CN(C)CCN1.Cl
InChIInChI=1S/C7H16N2.ClH/c1-3-7-6-9(2)5-4-8-7;/h7-8H,3-6H2,1-2H3;1H
InChIKeyMFVIIFUXRASKAW-UHFFFAOYSA-N
XLogP0.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
LogP ≤ 50.72
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;hydrochloride?
The IUPAC name of 3-ethyl-1-methylpiperazine;hydrochloride (CID 138111979) is 3-ethyl-1-methylpiperazine;hydrochloride.
What is the SMILES notation for 3-ethyl-1-methylpiperazine;hydrochloride?
The canonical SMILES for 3-ethyl-1-methylpiperazine;hydrochloride is CCC1CN(C)CCN1.Cl.
What is the InChIKey of 3-ethyl-1-methylpiperazine;hydrochloride?
The InChIKey is MFVIIFUXRASKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.ClH/c1-3-7-6-9(2)5-4-8-7;/h7-8H,3-6H2,1-2H3;1H.
What are the key properties of 3-ethyl-1-methylpiperazine;hydrochloride?
3-ethyl-1-methylpiperazine;hydrochloride has a molecular weight of 164.68 g/mol, XLogP of 0.72, 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;hydrochloride is sourced from PubChem (CID 138111979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).