1-hydroxypiperidine-2-carbaldehyde

C6H11NO2 — CID 173140570

IUPAC1-hydroxypiperidine-2-carbaldehyde
SMILESO=CC1CCCCN1O
InChIInChI=1S/C6H11NO2/c8-5-6-3-1-2-4-7(6)9/h5-6,9H,1-4H2
InChIKeyZHASAHPVJHIFBA-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.43
Rot. Bonds1

About 1-hydroxypiperidine-2-carbaldehyde

1-hydroxypiperidine-2-carbaldehyde (PubChem CID 173140570) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-hydroxypiperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-hydroxypiperidine-2-carbaldehyde
PubChem CID173140570
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-hydroxypiperidine-2-carbaldehyde
SMILESO=CC1CCCCN1O
InChIInChI=1S/C6H11NO2/c8-5-6-3-1-2-4-7(6)9/h5-6,9H,1-4H2
InChIKeyZHASAHPVJHIFBA-UHFFFAOYSA-N
XLogP0.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Fluoropiperidine-2-carbaldehyde
CID 150894585
(2S)-1-methylpiperidine-2-carbaldehyde
CID 10240816
1-Methylpiperidine-2-carbaldehyde
CID 13837870
(R)-1-Methylpiperidine-2-carbaldehyde
CID 18391375
1-(3-Oxopropyl)piperidine-2-carbaldehyde
CID 57244606
1-Methyl-1-oxidopiperidin-1-ium-2-carbaldehyde
CID 90991147
1-Chloropiperidine-2-carbaldehyde
CID 132080120
(2S)-1-hydroxy-6-sulfanylidenepiperidine-2-carbaldehyde
CID 141926705
(2S)-1-iodopiperidine-2-carbaldehyde
CID 142393643
[(2R)-2-formylpiperidin-1-yl]thallium
CID 145152294
1-(Hydroxymethyl)piperidine-2-carbaldehyde
CID 173140559
1-Methyl-1-oxidopiperidin-1-ium-2-carbaldehyde;trihydrochloride
CID 173156842

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypiperidine-2-carbaldehyde?
The IUPAC name of 1-hydroxypiperidine-2-carbaldehyde (CID 173140570) is 1-hydroxypiperidine-2-carbaldehyde.
What is the SMILES notation for 1-hydroxypiperidine-2-carbaldehyde?
The canonical SMILES for 1-hydroxypiperidine-2-carbaldehyde is O=CC1CCCCN1O.
What is the InChIKey of 1-hydroxypiperidine-2-carbaldehyde?
The InChIKey is ZHASAHPVJHIFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-5-6-3-1-2-4-7(6)9/h5-6,9H,1-4H2.
What are the key properties of 1-hydroxypiperidine-2-carbaldehyde?
1-hydroxypiperidine-2-carbaldehyde has a molecular weight of 129.16 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypiperidine-2-carbaldehyde is sourced from PubChem (CID 173140570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).