2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one

C13H27N3O — CID 60962672

IUPAC2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
SMILESCC(C)CN1CCN(C(=O)C(N)C(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)9-15-5-7-16(8-6-15)13(17)12(14)11(3)4/h10-12H,5-9,14H2,1-4H3
InChIKeySWHWQFQTZOYMIM-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.77
Rot. Bonds4

About 2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one

2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one (PubChem CID 60962672) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
PubChem CID60962672
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
SMILESCC(C)CN1CCN(C(=O)C(N)C(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)9-15-5-7-16(8-6-15)13(17)12(14)11(3)4/h10-12H,5-9,14H2,1-4H3
InChIKeySWHWQFQTZOYMIM-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119831584
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119831591
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
CID 141387551
(2S)-2-amino-3-methyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119833980
2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 54870603
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide
CID 61157442
(2R)-2-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 79013048
2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one
CID 169182421
3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 65270005

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one (CID 60962672) is 2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one is CC(C)CN1CCN(C(=O)C(N)C(C)C)CC1.
What is the InChIKey of 2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one?
The InChIKey is SWHWQFQTZOYMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)9-15-5-7-16(8-6-15)13(17)12(14)11(3)4/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one?
2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one has a molecular weight of 241.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 60962672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).