2-amino-2-piperazin-1-ylacetaldehyde

C6H13N3O — CID 87296507

IUPAC2-amino-2-piperazin-1-ylacetaldehyde
SMILESNC(C=O)N1CCNCC1
InChIInChI=1S/C6H13N3O/c7-6(5-10)9-3-1-8-2-4-9/h5-6,8H,1-4,7H2
InChIKeyUEYMCIVFPPBDDY-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.62
Rot. Bonds2

About 2-amino-2-piperazin-1-ylacetaldehyde

2-amino-2-piperazin-1-ylacetaldehyde (PubChem CID 87296507) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-amino-2-piperazin-1-ylacetaldehyde.

Molecular Properties

Compound Name2-amino-2-piperazin-1-ylacetaldehyde
PubChem CID87296507
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2-amino-2-piperazin-1-ylacetaldehyde
SMILESNC(C=O)N1CCNCC1
InChIInChI=1S/C6H13N3O/c7-6(5-10)9-3-1-8-2-4-9/h5-6,8H,1-4,7H2
InChIKeyUEYMCIVFPPBDDY-UHFFFAOYSA-N
XLogP-1.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-piperazin-1-ylacetaldehyde?
The IUPAC name of 2-amino-2-piperazin-1-ylacetaldehyde (CID 87296507) is 2-amino-2-piperazin-1-ylacetaldehyde.
What is the SMILES notation for 2-amino-2-piperazin-1-ylacetaldehyde?
The canonical SMILES for 2-amino-2-piperazin-1-ylacetaldehyde is NC(C=O)N1CCNCC1.
What is the InChIKey of 2-amino-2-piperazin-1-ylacetaldehyde?
The InChIKey is UEYMCIVFPPBDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-6(5-10)9-3-1-8-2-4-9/h5-6,8H,1-4,7H2.
What are the key properties of 2-amino-2-piperazin-1-ylacetaldehyde?
2-amino-2-piperazin-1-ylacetaldehyde has a molecular weight of 143.19 g/mol, XLogP of -1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-piperazin-1-ylacetaldehyde is sourced from PubChem (CID 87296507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).