4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one

C12H25N3O — CID 114536787

IUPAC4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
SMILESCC(CCN)C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H25N3O/c1-9(5-6-13)12(16)15-7-10(2)14(4)11(3)8-15/h9-11H,5-8,13H2,1-4H3
InChIKeyNWDFZSMPPRWPBR-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.52
Rot. Bonds3

About 4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one

4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one (PubChem CID 114536787) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
PubChem CID114536787
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
SMILESCC(CCN)C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H25N3O/c1-9(5-6-13)12(16)15-7-10(2)14(4)11(3)8-15/h9-11H,5-8,13H2,1-4H3
InChIKeyNWDFZSMPPRWPBR-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3,5-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 80542198
3-(ethylamino)-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536739
1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 80544995
3-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536652
(2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 104937377
4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80543127
3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 79184567
3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609743
7-amino-1-(3,4,5-trimethylpiperazin-1-yl)heptan-1-one
CID 114536825
2-amino-1-(3,4,5-trimethylpiperazin-1-yl)pent-4-yn-1-one
CID 114536814
3-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 106668494
2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 114538694

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one?
The IUPAC name of 4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one (CID 114536787) is 4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one is CC(CCN)C(=O)N1CC(C)N(C)C(C)C1.
What is the InChIKey of 4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one?
The InChIKey is NWDFZSMPPRWPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(5-6-13)12(16)15-7-10(2)14(4)11(3)8-15/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one?
4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 114536787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).