2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride

C13H27Cl2N3O2 — CID 119891927

IUPAC2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C)(N)C(=O)N1CCN(C2CCOCC2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-13(2,14)12(17)16-7-5-15(6-8-16)11-3-9-18-10-4-11;;/h11H,3-10,14H2,1-2H3;2*1H
InChIKeyAJHQDNXZPZCDFW-UHFFFAOYSA-N
MW328.28 g/mol
LogP0.89
Rot. Bonds2

About 2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride

2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119891927) has the molecular formula C13H27Cl2N3O2 and a molecular weight of 328.28 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119891927
Molecular FormulaC13H27Cl2N3O2
Molecular Weight328.28 g/mol
Exact Mass327.15
IUPAC Name2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C)(N)C(=O)N1CCN(C2CCOCC2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-13(2,14)12(17)16-7-5-15(6-8-16)11-3-9-18-10-4-11;;/h11H,3-10,14H2,1-2H3;2*1H
InChIKeyAJHQDNXZPZCDFW-UHFFFAOYSA-N
XLogP0.89
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 61264661
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one
CID 120565746
[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 131944774
4-(oxan-4-yl)piperazine-1-carboximidamide
CID 121201865
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120942235
(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 91082020
(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 131931854
(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 119947314
2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 167873034
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119891927) is 2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride is CC(C)(N)C(=O)N1CCN(C2CCOCC2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is AJHQDNXZPZCDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.2ClH/c1-13(2,14)12(17)16-7-5-15(6-8-16)11-3-9-18-10-4-11;;/h11H,3-10,14H2,1-2H3;2*1H.
What are the key properties of 2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride?
2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 328.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119891927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).