2-(diethylamino)-2-piperazin-1-ylacetaldehyde

C10H21N3O — CID 87644794

IUPAC2-(diethylamino)-2-piperazin-1-ylacetaldehyde
SMILESCCN(CC)C(C=O)N1CCNCC1
InChIInChI=1S/C10H21N3O/c1-3-12(4-2)10(9-14)13-7-5-11-6-8-13/h9-11H,3-8H2,1-2H3
InChIKeyFMGWBWMLAWFXRD-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.24
Rot. Bonds5

About 2-(diethylamino)-2-piperazin-1-ylacetaldehyde

2-(diethylamino)-2-piperazin-1-ylacetaldehyde (PubChem CID 87644794) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(diethylamino)-2-piperazin-1-ylacetaldehyde.

Molecular Properties

Compound Name2-(diethylamino)-2-piperazin-1-ylacetaldehyde
PubChem CID87644794
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(diethylamino)-2-piperazin-1-ylacetaldehyde
SMILESCCN(CC)C(C=O)N1CCNCC1
InChIInChI=1S/C10H21N3O/c1-3-12(4-2)10(9-14)13-7-5-11-6-8-13/h9-11H,3-8H2,1-2H3
InChIKeyFMGWBWMLAWFXRD-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide
CID 21254676
2-[(2,4,6-Trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde
CID 57073300
2-Piperazin-1-yl-2-pyrrolidin-1-ylacetaldehyde
CID 57076028
2-[2-(4-Methylpiperazin-1-yl)ethylamino]acetaldehyde
CID 57451982
2,2-Di(piperazin-1-yl)acetaldehyde
CID 87096321
2-[4-(1-Aminoethyl)piperazin-1-yl]acetaldehyde
CID 87152823
2-(Dimethylamino)-2-piperazin-1-ylacetaldehyde
CID 87296072
2-(Methylamino)-2-piperazin-1-ylacetaldehyde
CID 87296344
2-Amino-2-piperazin-1-ylacetaldehyde
CID 87296507
2-(2-Piperazin-1-ylpyrrolidin-1-yl)acetaldehyde
CID 87486305
2-Amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride
CID 87614959
2-[2-(Dimethylamino)piperazin-1-yl]acetaldehyde
CID 87801141

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-piperazin-1-ylacetaldehyde?
The IUPAC name of 2-(diethylamino)-2-piperazin-1-ylacetaldehyde (CID 87644794) is 2-(diethylamino)-2-piperazin-1-ylacetaldehyde.
What is the SMILES notation for 2-(diethylamino)-2-piperazin-1-ylacetaldehyde?
The canonical SMILES for 2-(diethylamino)-2-piperazin-1-ylacetaldehyde is CCN(CC)C(C=O)N1CCNCC1.
What is the InChIKey of 2-(diethylamino)-2-piperazin-1-ylacetaldehyde?
The InChIKey is FMGWBWMLAWFXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-12(4-2)10(9-14)13-7-5-11-6-8-13/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(diethylamino)-2-piperazin-1-ylacetaldehyde?
2-(diethylamino)-2-piperazin-1-ylacetaldehyde has a molecular weight of 199.30 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-piperazin-1-ylacetaldehyde is sourced from PubChem (CID 87644794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).