4-hydroxypiperidine-1-carbaldehyde

C6H11NO2 — CID 15172743

IUPAC4-hydroxypiperidine-1-carbaldehyde
SMILESO=CN1CCC(O)CC1
InChIInChI=1S/C6H11NO2/c8-5-7-3-1-6(9)2-4-7/h5-6,9H,1-4H2
InChIKeyOXCVNPHTSWKTBC-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.40
Rot. Bonds1

About 4-hydroxypiperidine-1-carbaldehyde

4-hydroxypiperidine-1-carbaldehyde (PubChem CID 15172743) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-hydroxypiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-hydroxypiperidine-1-carbaldehyde
PubChem CID15172743
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-hydroxypiperidine-1-carbaldehyde
SMILESO=CN1CCC(O)CC1
InChIInChI=1S/C6H11NO2/c8-5-7-3-1-6(9)2-4-7/h5-6,9H,1-4H2
InChIKeyOXCVNPHTSWKTBC-UHFFFAOYSA-N
XLogP-0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypiperidine-1-carbaldehyde?
The IUPAC name of 4-hydroxypiperidine-1-carbaldehyde (CID 15172743) is 4-hydroxypiperidine-1-carbaldehyde.
What is the SMILES notation for 4-hydroxypiperidine-1-carbaldehyde?
The canonical SMILES for 4-hydroxypiperidine-1-carbaldehyde is O=CN1CCC(O)CC1.
What is the InChIKey of 4-hydroxypiperidine-1-carbaldehyde?
The InChIKey is OXCVNPHTSWKTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-5-7-3-1-6(9)2-4-7/h5-6,9H,1-4H2.
What are the key properties of 4-hydroxypiperidine-1-carbaldehyde?
4-hydroxypiperidine-1-carbaldehyde has a molecular weight of 129.16 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypiperidine-1-carbaldehyde is sourced from PubChem (CID 15172743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).