4,4-dihydroxypiperidine-1-carbaldehyde

C6H11NO3 — CID 58922197

IUPAC4,4-dihydroxypiperidine-1-carbaldehyde
SMILESO=CN1CCC(O)(O)CC1
InChIInChI=1S/C6H11NO3/c8-5-7-3-1-6(9,10)2-4-7/h5,9-10H,1-4H2
InChIKeyUPNWDJPYGWKMMF-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.08
Rot. Bonds1

About 4,4-dihydroxypiperidine-1-carbaldehyde

4,4-dihydroxypiperidine-1-carbaldehyde (PubChem CID 58922197) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4,4-dihydroxypiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4,4-dihydroxypiperidine-1-carbaldehyde
PubChem CID58922197
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4,4-dihydroxypiperidine-1-carbaldehyde
SMILESO=CN1CCC(O)(O)CC1
InChIInChI=1S/C6H11NO3/c8-5-7-3-1-6(9,10)2-4-7/h5,9-10H,1-4H2
InChIKeyUPNWDJPYGWKMMF-UHFFFAOYSA-N
XLogP-1.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4,4-dihydroxypiperidine-1-carbaldehyde?
The IUPAC name of 4,4-dihydroxypiperidine-1-carbaldehyde (CID 58922197) is 4,4-dihydroxypiperidine-1-carbaldehyde.
What is the SMILES notation for 4,4-dihydroxypiperidine-1-carbaldehyde?
The canonical SMILES for 4,4-dihydroxypiperidine-1-carbaldehyde is O=CN1CCC(O)(O)CC1.
What is the InChIKey of 4,4-dihydroxypiperidine-1-carbaldehyde?
The InChIKey is UPNWDJPYGWKMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-5-7-3-1-6(9,10)2-4-7/h5,9-10H,1-4H2.
What are the key properties of 4,4-dihydroxypiperidine-1-carbaldehyde?
4,4-dihydroxypiperidine-1-carbaldehyde has a molecular weight of 145.16 g/mol, XLogP of -1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dihydroxypiperidine-1-carbaldehyde is sourced from PubChem (CID 58922197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).