1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one

C9H19N3O — CID 20796062

IUPAC1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(CCN)CC1
InChIInChI=1S/C9H19N3O/c1-9(13)8-12-6-4-11(3-2-10)5-7-12/h2-8,10H2,1H3
InChIKeySUFHJEZUEYSXKC-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.85
Rot. Bonds4

About 1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one

1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one (PubChem CID 20796062) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one
PubChem CID20796062
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(CCN)CC1
InChIInChI=1S/C9H19N3O/c1-9(13)8-12-6-4-11(3-2-10)5-7-12/h2-8,10H2,1H3
InChIKeySUFHJEZUEYSXKC-UHFFFAOYSA-N
XLogP-0.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one (CID 20796062) is 1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one is CC(=O)CN1CCN(CCN)CC1.
What is the InChIKey of 1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one?
The InChIKey is SUFHJEZUEYSXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(13)8-12-6-4-11(3-2-10)5-7-12/h2-8,10H2,1H3.
What are the key properties of 1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one?
1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one has a molecular weight of 185.27 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-one is sourced from PubChem (CID 20796062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).