2,2-dihydroxy-2-piperazin-1-ylacetaldehyde

C6H12N2O3 — CID 71773270

IUPAC2,2-dihydroxy-2-piperazin-1-ylacetaldehyde
SMILESO=CC(O)(O)N1CCNCC1
InChIInChI=1S/C6H12N2O3/c9-5-6(10,11)8-3-1-7-2-4-8/h5,7,10-11H,1-4H2
InChIKeyJWWRFASGRVGZOV-UHFFFAOYSA-N
MW160.17 g/mol
LogP-2.27
Rot. Bonds2

About 2,2-dihydroxy-2-piperazin-1-ylacetaldehyde

2,2-dihydroxy-2-piperazin-1-ylacetaldehyde (PubChem CID 71773270) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2,2-dihydroxy-2-piperazin-1-ylacetaldehyde.

Molecular Properties

Compound Name2,2-dihydroxy-2-piperazin-1-ylacetaldehyde
PubChem CID71773270
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2,2-dihydroxy-2-piperazin-1-ylacetaldehyde
SMILESO=CC(O)(O)N1CCNCC1
InChIInChI=1S/C6H12N2O3/c9-5-6(10,11)8-3-1-7-2-4-8/h5,7,10-11H,1-4H2
InChIKeyJWWRFASGRVGZOV-UHFFFAOYSA-N
XLogP-2.27
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-2.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 145139140
CID 145139140
1-amino-1-piperazin-1-ylethanol
CID 57320675
1-iodo-1-piperazin-1-ylethanol
CID 66895904
1,4,7,10-tetrazacyclododecane-1,7-dicarbaldehyde
CID 88945771
2-fluoro-2-phenyl-2-piperazin-1-ylacetaldehyde
CID 90420859
2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid
CID 69422963
1,2-di(piperazin-1-yl)propan-2-ol
CID 57284131
1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599296
2-piperazin-1-ylprop-2-enal
CID 173106377
1-piperazin-1-ylprop-2-ene-1,1-diamine
CID 66900154
2-methyl-2-piperazin-1-ylsulfonylpropanal
CID 115032123
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxy-2-piperazin-1-ylacetaldehyde?
The IUPAC name of 2,2-dihydroxy-2-piperazin-1-ylacetaldehyde (CID 71773270) is 2,2-dihydroxy-2-piperazin-1-ylacetaldehyde.
What is the SMILES notation for 2,2-dihydroxy-2-piperazin-1-ylacetaldehyde?
The canonical SMILES for 2,2-dihydroxy-2-piperazin-1-ylacetaldehyde is O=CC(O)(O)N1CCNCC1.
What is the InChIKey of 2,2-dihydroxy-2-piperazin-1-ylacetaldehyde?
The InChIKey is JWWRFASGRVGZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c9-5-6(10,11)8-3-1-7-2-4-8/h5,7,10-11H,1-4H2.
What are the key properties of 2,2-dihydroxy-2-piperazin-1-ylacetaldehyde?
2,2-dihydroxy-2-piperazin-1-ylacetaldehyde has a molecular weight of 160.17 g/mol, XLogP of -2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-2-piperazin-1-ylacetaldehyde is sourced from PubChem (CID 71773270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).