2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one

C9H19N3O — CID 103814595

IUPAC2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCN(C)CC1C
InChIInChI=1S/C9H19N3O/c1-7-6-11(3)4-5-12(7)9(13)8(2)10/h7-8H,4-6,10H2,1-3H3
InChIKeyVNWPQWHPEXHJON-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.50
Rot. Bonds1

About 2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one

2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one (PubChem CID 103814595) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one
PubChem CID103814595
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCN(C)CC1C
InChIInChI=1S/C9H19N3O/c1-7-6-11(3)4-5-12(7)9(13)8(2)10/h7-8H,4-6,10H2,1-3H3
InChIKeyVNWPQWHPEXHJON-UHFFFAOYSA-N
XLogP-0.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 103833366
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)pentan-1-one
CID 103814592
3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide
CID 103827811
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
CID 103814599
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 103814570
ethane;N,2,4-trimethylpiperazine-1-carboxamide
CID 144801941
1-(2,4-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 23557236
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one (CID 103814595) is 2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one is CC(N)C(=O)N1CCN(C)CC1C.
What is the InChIKey of 2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one?
The InChIKey is VNWPQWHPEXHJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-6-11(3)4-5-12(7)9(13)8(2)10/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one?
2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one has a molecular weight of 185.27 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 103814595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).