2,3,4-trihydroxypiperidine-2-carbaldehyde

C6H11NO4 — CID 174706706

IUPAC2,3,4-trihydroxypiperidine-2-carbaldehyde
SMILESO=CC1(O)NCCC(O)C1O
InChIInChI=1S/C6H11NO4/c8-3-6(11)5(10)4(9)1-2-7-6/h3-5,7,9-11H,1-2H2
InChIKeyZRHAATVOHJRFDI-UHFFFAOYSA-N
MW161.16 g/mol
LogP-2.41
Rot. Bonds1

About 2,3,4-trihydroxypiperidine-2-carbaldehyde

2,3,4-trihydroxypiperidine-2-carbaldehyde (PubChem CID 174706706) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2,3,4-trihydroxypiperidine-2-carbaldehyde.

Molecular Properties

Compound Name2,3,4-trihydroxypiperidine-2-carbaldehyde
PubChem CID174706706
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2,3,4-trihydroxypiperidine-2-carbaldehyde
SMILESO=CC1(O)NCCC(O)C1O
InChIInChI=1S/C6H11NO4/c8-3-6(11)5(10)4(9)1-2-7-6/h3-5,7,9-11H,1-2H2
InChIKeyZRHAATVOHJRFDI-UHFFFAOYSA-N
XLogP-2.41
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3,4-trihydroxypiperidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrrolidine-2,2,3-triol
CID 54103203
(3R)-3-hydroxypyrrolidine-2-carbaldehyde
CID 174721320
formic acid;1-hydroxypiperidine-2,2,3,4-tetrol
CID 174494050
(8R)-5-azaspiro[3.5]nonan-8-ol
CID 96637049
3-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 18936951
2-(4-chlorophenyl)-2-methylpiperidin-4-ol
CID 83537285
2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde
CID 174782015
2,2-dimethylpyrrolidin-3-ol
CID 71669042
1,3,5-trihydroxycyclohex-4-ene-1,2,3-tricarbaldehyde
CID 175477433
trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde
CID 45083540
(2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid
CID 58111748
2-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidine-2-carbaldehyde
CID 174679276

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxypiperidine-2-carbaldehyde?
The IUPAC name of 2,3,4-trihydroxypiperidine-2-carbaldehyde (CID 174706706) is 2,3,4-trihydroxypiperidine-2-carbaldehyde.
What is the SMILES notation for 2,3,4-trihydroxypiperidine-2-carbaldehyde?
The canonical SMILES for 2,3,4-trihydroxypiperidine-2-carbaldehyde is O=CC1(O)NCCC(O)C1O.
What is the InChIKey of 2,3,4-trihydroxypiperidine-2-carbaldehyde?
The InChIKey is ZRHAATVOHJRFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c8-3-6(11)5(10)4(9)1-2-7-6/h3-5,7,9-11H,1-2H2.
What are the key properties of 2,3,4-trihydroxypiperidine-2-carbaldehyde?
2,3,4-trihydroxypiperidine-2-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of -2.41, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxypiperidine-2-carbaldehyde is sourced from PubChem (CID 174706706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).