1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride

C11H23ClN2O — CID 131107366

IUPAC1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride
SMILESCCC1(CN2CCNCC2C)COC1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-3-11(8-14-9-11)7-13-5-4-12-6-10(13)2;/h10,12H,3-9H2,1-2H3;1H
InChIKeyYJJFBIANLGQYFV-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.13
Rot. Bonds3

About 1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride

1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride (PubChem CID 131107366) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride
PubChem CID131107366
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride
SMILESCCC1(CN2CCNCC2C)COC1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-3-11(8-14-9-11)7-13-5-4-12-6-10(13)2;/h10,12H,3-9H2,1-2H3;1H
InChIKeyYJJFBIANLGQYFV-UHFFFAOYSA-N
XLogP1.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-(oxetan-3-yl)piperazine
CID 116984957
1-[(3-Methyloxetan-3-yl)methyl]piperazine
CID 84049866
N-methyl-2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethanamine
CID 147780237
N-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethyl]propan-2-amine
CID 171769016
N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 55051683
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55051702
1-(4,4-Diethylpiperidin-1-yl)-4-methoxybutan-2-amine
CID 55159302
N-[[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 55216024
1-N,2-N,3,3-tetramethyl-1-N-(oxan-4-yl)butane-1,2-diamine
CID 61773376
N-ethyl-1-(3-ethylmorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 61773385
1-(3-ethylmorpholin-4-yl)-N,3,3-trimethylbutan-2-amine
CID 61773575
N-ethyl-1-(4-methoxypiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 61773871

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of 1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride (CID 131107366) is 1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride is CCC1(CN2CCNCC2C)COC1.Cl.
What is the InChIKey of 1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride?
The InChIKey is YJJFBIANLGQYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.ClH/c1-3-11(8-14-9-11)7-13-5-4-12-6-10(13)2;/h10,12H,3-9H2,1-2H3;1H.
What are the key properties of 1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride?
1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyloxetan-3-yl)methyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 131107366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).