1-(oxan-4-yl)piperidine-4-carbaldehyde

C11H19NO2 — CID 63937324

IUPAC1-(oxan-4-yl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C11H19NO2/c13-9-10-1-5-12(6-2-10)11-3-7-14-8-4-11/h9-11H,1-8H2
InChIKeyHEOJGDYZDBPQJK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.08
Rot. Bonds2

About 1-(oxan-4-yl)piperidine-4-carbaldehyde

1-(oxan-4-yl)piperidine-4-carbaldehyde (PubChem CID 63937324) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(oxan-4-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(oxan-4-yl)piperidine-4-carbaldehyde
PubChem CID63937324
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(oxan-4-yl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C11H19NO2/c13-9-10-1-5-12(6-2-10)11-3-7-14-8-4-11/h9-11H,1-8H2
InChIKeyHEOJGDYZDBPQJK-UHFFFAOYSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(oxan-4-yl)piperidine-4-carbaldehyde (CID 63937324) is 1-(oxan-4-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(oxan-4-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(oxan-4-yl)piperidine-4-carbaldehyde is O=CC1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-yl)piperidine-4-carbaldehyde?
The InChIKey is HEOJGDYZDBPQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-9-10-1-5-12(6-2-10)11-3-7-14-8-4-11/h9-11H,1-8H2.
What are the key properties of 1-(oxan-4-yl)piperidine-4-carbaldehyde?
1-(oxan-4-yl)piperidine-4-carbaldehyde has a molecular weight of 197.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 63937324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).