3-ethyl-1-(1-methylazetidin-3-yl)piperazine

C10H21N3 — CID 131042809

IUPAC3-ethyl-1-(1-methylazetidin-3-yl)piperazine
SMILESCCC1CN(C2CN(C)C2)CCN1
InChIInChI=1S/C10H21N3/c1-3-9-6-13(5-4-11-9)10-7-12(2)8-10/h9-11H,3-8H2,1-2H3
InChIKeyBTHAXBAZDAIUQK-UHFFFAOYSA-N
MW183.30 g/mol
LogP-0.02
Rot. Bonds2

About 3-ethyl-1-(1-methylazetidin-3-yl)piperazine

3-ethyl-1-(1-methylazetidin-3-yl)piperazine (PubChem CID 131042809) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-ethyl-1-(1-methylazetidin-3-yl)piperazine.

Molecular Properties

Compound Name3-ethyl-1-(1-methylazetidin-3-yl)piperazine
PubChem CID131042809
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name3-ethyl-1-(1-methylazetidin-3-yl)piperazine
SMILESCCC1CN(C2CN(C)C2)CCN1
InChIInChI=1S/C10H21N3/c1-3-9-6-13(5-4-11-9)10-7-12(2)8-10/h9-11H,3-8H2,1-2H3
InChIKeyBTHAXBAZDAIUQK-UHFFFAOYSA-N
XLogP-0.02
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-(2,3-dimethylcyclobutyl)-3-ethylpiperazine
CID 131183160
3-ethyl-1-methyl-1,4-diazepane;dihydrochloride
CID 91647799
1-(2,2-dimethylcyclopentyl)-3-ethylpiperazine
CID 79878400
1-(azetidin-3-yl)-3-propylpiperazine;hydrochloride
CID 131203794
1-cyclooctyl-3-propylpiperazine
CID 64924184
1-(2-bromoethyl)-3-ethylpiperazine
CID 173202340
(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 166931143
3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane
CID 114102096
3-propyl-1-(4-propylcyclohexyl)piperazine
CID 64926746
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 64951925
3-ethyl-1-pentylpiperazine
CID 64832988

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methylazetidin-3-yl)piperazine?
The IUPAC name of 3-ethyl-1-(1-methylazetidin-3-yl)piperazine (CID 131042809) is 3-ethyl-1-(1-methylazetidin-3-yl)piperazine.
What is the SMILES notation for 3-ethyl-1-(1-methylazetidin-3-yl)piperazine?
The canonical SMILES for 3-ethyl-1-(1-methylazetidin-3-yl)piperazine is CCC1CN(C2CN(C)C2)CCN1.
What is the InChIKey of 3-ethyl-1-(1-methylazetidin-3-yl)piperazine?
The InChIKey is BTHAXBAZDAIUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-9-6-13(5-4-11-9)10-7-12(2)8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-1-(1-methylazetidin-3-yl)piperazine?
3-ethyl-1-(1-methylazetidin-3-yl)piperazine has a molecular weight of 183.30 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methylazetidin-3-yl)piperazine is sourced from PubChem (CID 131042809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).