2,2-di(piperazin-1-yl)acetaldehyde

C10H20N4O — CID 87096321

IUPAC2,2-di(piperazin-1-yl)acetaldehyde
SMILESO=CC(N1CCNCC1)N1CCNCC1
InChIInChI=1S/C10H20N4O/c15-9-10(13-5-1-11-2-6-13)14-7-3-12-4-8-14/h9-12H,1-8H2
InChIKeyVOVDGMAOOAAGCM-UHFFFAOYSA-N
MW212.30 g/mol
LogP-1.68
Rot. Bonds3

About 2,2-di(piperazin-1-yl)acetaldehyde

2,2-di(piperazin-1-yl)acetaldehyde (PubChem CID 87096321) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2,2-di(piperazin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2,2-di(piperazin-1-yl)acetaldehyde
PubChem CID87096321
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2,2-di(piperazin-1-yl)acetaldehyde
SMILESO=CC(N1CCNCC1)N1CCNCC1
InChIInChI=1S/C10H20N4O/c15-9-10(13-5-1-11-2-6-13)14-7-3-12-4-8-14/h9-12H,1-8H2
InChIKeyVOVDGMAOOAAGCM-UHFFFAOYSA-N
XLogP-1.68
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-2-piperazin-1-ylacetaldehyde
CID 90700522
2,2-di(piperazin-1-yl)ethanimine
CID 56996932
N-(1-piperazin-1-ylethyl)formamide
CID 87225423
(E)-but-2-enedioic acid;1-propan-2-ylpiperazine
CID 70108433
1,4,7,10-tetrazacyclododecane-1,7-dicarbaldehyde
CID 88945771
1-methyl-7-propan-2-yl-1,4,7,10-tetrazacyclododecane
CID 145053856
1-propan-2-ylpiperazine;vanadium
CID 162375922
2-(1H-imidazol-2-yl)-2-piperazin-1-ylacetaldehyde
CID 135151489
2,2-di(piperazin-1-yl)acetamide
CID 57104434
1-piperazin-1-ylprop-2-en-1-ol
CID 66821299
2-(7-methyl-1,4,7,10-tetrazacyclododec-1-yl)propanedioic acid
CID 59046607
2-piperazin-1-ylbut-3-enoic acid
CID 130492255

Frequently Asked Questions

What is the IUPAC name of 2,2-di(piperazin-1-yl)acetaldehyde?
The IUPAC name of 2,2-di(piperazin-1-yl)acetaldehyde (CID 87096321) is 2,2-di(piperazin-1-yl)acetaldehyde.
What is the SMILES notation for 2,2-di(piperazin-1-yl)acetaldehyde?
The canonical SMILES for 2,2-di(piperazin-1-yl)acetaldehyde is O=CC(N1CCNCC1)N1CCNCC1.
What is the InChIKey of 2,2-di(piperazin-1-yl)acetaldehyde?
The InChIKey is VOVDGMAOOAAGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c15-9-10(13-5-1-11-2-6-13)14-7-3-12-4-8-14/h9-12H,1-8H2.
What are the key properties of 2,2-di(piperazin-1-yl)acetaldehyde?
2,2-di(piperazin-1-yl)acetaldehyde has a molecular weight of 212.30 g/mol, XLogP of -1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(piperazin-1-yl)acetaldehyde is sourced from PubChem (CID 87096321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).