2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride

C12H27Cl2N3O — CID 119826659

IUPAC2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
SMILESCCCC(C)(N)C(=O)N1CCN(CC)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-4-6-12(3,13)11(16)15-9-7-14(5-2)8-10-15;;/h4-10,13H2,1-3H3;2*1H
InChIKeyBBAGVAYIUSSQPP-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.51
Rot. Bonds4

About 2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride

2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride (PubChem CID 119826659) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
PubChem CID119826659
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
SMILESCCCC(C)(N)C(=O)N1CCN(CC)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-4-6-12(3,13)11(16)15-9-7-14(5-2)8-10-15;;/h4-10,13H2,1-3H3;2*1H
InChIKeyBBAGVAYIUSSQPP-UHFFFAOYSA-N
XLogP1.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119838581
2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 60940159
2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 60848035
2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 60963266
2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837894
2-amino-2-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119738915
2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 60937727
2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119710551
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119743528
2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119794919
2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119787781
2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119743474

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride?
The IUPAC name of 2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride (CID 119826659) is 2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride is CCCC(C)(N)C(=O)N1CCN(CC)CC1.Cl.Cl.
What is the InChIKey of 2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride?
The InChIKey is BBAGVAYIUSSQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-4-6-12(3,13)11(16)15-9-7-14(5-2)8-10-15;;/h4-10,13H2,1-3H3;2*1H.
What are the key properties of 2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride?
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride is sourced from PubChem (CID 119826659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).