1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine

C11H23N3 — CID 130854837

IUPAC1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine
SMILESCCN1CCN(CC2(C)CNC2)CC1
InChIInChI=1S/C11H23N3/c1-3-13-4-6-14(7-5-13)10-11(2)8-12-9-11/h12H,3-10H2,1-2H3
InChIKeyZLZQKGJYMOTGMH-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.23
Rot. Bonds3

About 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine

1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine (PubChem CID 130854837) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine
PubChem CID130854837
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine
SMILESCCN1CCN(CC2(C)CNC2)CC1
InChIInChI=1S/C11H23N3/c1-3-13-4-6-14(7-5-13)10-11(2)8-12-9-11/h12H,3-10H2,1-2H3
InChIKeyZLZQKGJYMOTGMH-UHFFFAOYSA-N
XLogP0.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride
CID 120898363
1-(4-ethylpiperazin-1-yl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]ethanone
CID 120900089
4,10-diethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
CID 18740677
1,4-diethylpiperazine;sulfane
CID 177062456
N,N-dimethyl-1-[(3-methylazetidin-3-yl)methyl]pyrrolidin-3-amine
CID 130825930
4-ethyl-4-methyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 55159111
1-ethyl-4-[(1-fluorocyclopropyl)methyl]piperazine
CID 130668663
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
1-methyl-4-[(3-methylpiperidin-3-yl)methyl]-1,4-diazepane
CID 63133054
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898228

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine (CID 130854837) is 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine is CCN1CCN(CC2(C)CNC2)CC1.
What is the InChIKey of 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine?
The InChIKey is ZLZQKGJYMOTGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-13-4-6-14(7-5-13)10-11(2)8-12-9-11/h12H,3-10H2,1-2H3.
What are the key properties of 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine?
1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine has a molecular weight of 197.33 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine is sourced from PubChem (CID 130854837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).