2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one

C13H27N3O — CID 61265445

IUPAC2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
SMILESCC(C)CCN1CCN(C(=O)C(C)(C)N)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)5-6-15-7-9-16(10-8-15)12(17)13(3,4)14/h11H,5-10,14H2,1-4H3
InChIKeyCARDDSDHHSCCOX-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.91
Rot. Bonds4

About 2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one

2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one (PubChem CID 61265445) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
PubChem CID61265445
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
SMILESCC(C)CCN1CCN(C(=O)C(C)(C)N)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)5-6-15-7-9-16(10-8-15)12(17)13(3,4)14/h11H,5-10,14H2,1-4H3
InChIKeyCARDDSDHHSCCOX-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 54873596
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366
ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
CID 157028583
(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 93375585
[2-[4-(3-methylbutyl)piperazin-1-yl]-2-oxoethyl] acetate
CID 163778051
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311
3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 65270005
2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 112686300
2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119887927
3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one
CID 55121642

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one (CID 61265445) is 2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one is CC(C)CCN1CCN(C(=O)C(C)(C)N)CC1.
What is the InChIKey of 2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one?
The InChIKey is CARDDSDHHSCCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)5-6-15-7-9-16(10-8-15)12(17)13(3,4)14/h11H,5-10,14H2,1-4H3.
What are the key properties of 2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one?
2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one has a molecular weight of 241.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 61265445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).