1-[1-(2-aminopropyl)piperazin-2-yl]ethanone

C9H19N3O — CID 69065304

IUPAC1-[1-(2-aminopropyl)piperazin-2-yl]ethanone
SMILESCC(=O)C1CNCCN1CC(C)N
InChIInChI=1S/C9H19N3O/c1-7(10)6-12-4-3-11-5-9(12)8(2)13/h7,9,11H,3-6,10H2,1-2H3
InChIKeyWBXBVNIXFIKJLS-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.80
Rot. Bonds3

About 1-[1-(2-aminopropyl)piperazin-2-yl]ethanone

1-[1-(2-aminopropyl)piperazin-2-yl]ethanone (PubChem CID 69065304) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[1-(2-aminopropyl)piperazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-aminopropyl)piperazin-2-yl]ethanone
PubChem CID69065304
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-[1-(2-aminopropyl)piperazin-2-yl]ethanone
SMILESCC(=O)C1CNCCN1CC(C)N
InChIInChI=1S/C9H19N3O/c1-7(10)6-12-4-3-11-5-9(12)8(2)13/h7,9,11H,3-6,10H2,1-2H3
InChIKeyWBXBVNIXFIKJLS-UHFFFAOYSA-N
XLogP-0.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminopropyl)piperazin-2-yl]ethanone?
The IUPAC name of 1-[1-(2-aminopropyl)piperazin-2-yl]ethanone (CID 69065304) is 1-[1-(2-aminopropyl)piperazin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-aminopropyl)piperazin-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-aminopropyl)piperazin-2-yl]ethanone is CC(=O)C1CNCCN1CC(C)N.
What is the InChIKey of 1-[1-(2-aminopropyl)piperazin-2-yl]ethanone?
The InChIKey is WBXBVNIXFIKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(10)6-12-4-3-11-5-9(12)8(2)13/h7,9,11H,3-6,10H2,1-2H3.
What are the key properties of 1-[1-(2-aminopropyl)piperazin-2-yl]ethanone?
1-[1-(2-aminopropyl)piperazin-2-yl]ethanone has a molecular weight of 185.27 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminopropyl)piperazin-2-yl]ethanone is sourced from PubChem (CID 69065304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).