1-(4-aminopiperazin-1-yl)-2-hydroxyethanone

C6H13N3O2 — CID 123367646

IUPAC1-(4-aminopiperazin-1-yl)-2-hydroxyethanone
SMILESNN1CCN(C(=O)CO)CC1
InChIInChI=1S/C6H13N3O2/c7-9-3-1-8(2-4-9)6(11)5-10/h10H,1-5,7H2
InChIKeyIZPKPGPPMZUIHE-UHFFFAOYSA-N
MW159.19 g/mol
LogP-2.00
Rot. Bonds1

About 1-(4-aminopiperazin-1-yl)-2-hydroxyethanone

1-(4-aminopiperazin-1-yl)-2-hydroxyethanone (PubChem CID 123367646) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-(4-aminopiperazin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-aminopiperazin-1-yl)-2-hydroxyethanone
PubChem CID123367646
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name1-(4-aminopiperazin-1-yl)-2-hydroxyethanone
SMILESNN1CCN(C(=O)CO)CC1
InChIInChI=1S/C6H13N3O2/c7-9-3-1-8(2-4-9)6(11)5-10/h10H,1-5,7H2
InChIKeyIZPKPGPPMZUIHE-UHFFFAOYSA-N
XLogP-2.00
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperazin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(4-aminopiperazin-1-yl)-2-hydroxyethanone (CID 123367646) is 1-(4-aminopiperazin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(4-aminopiperazin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(4-aminopiperazin-1-yl)-2-hydroxyethanone is NN1CCN(C(=O)CO)CC1.
What is the InChIKey of 1-(4-aminopiperazin-1-yl)-2-hydroxyethanone?
The InChIKey is IZPKPGPPMZUIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c7-9-3-1-8(2-4-9)6(11)5-10/h10H,1-5,7H2.
What are the key properties of 1-(4-aminopiperazin-1-yl)-2-hydroxyethanone?
1-(4-aminopiperazin-1-yl)-2-hydroxyethanone has a molecular weight of 159.19 g/mol, XLogP of -2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperazin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 123367646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).