3-piperidin-1-ylmorpholine-4-carbaldehyde

C10H18N2O2 — CID 141242138

IUPAC3-piperidin-1-ylmorpholine-4-carbaldehyde
SMILESO=CN1CCOCC1N1CCCCC1
InChIInChI=1S/C10H18N2O2/c13-9-12-6-7-14-8-10(12)11-4-2-1-3-5-11/h9-10H,1-8H2
InChIKeyKBLDCVUYWAQHHE-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.29
Rot. Bonds2

About 3-piperidin-1-ylmorpholine-4-carbaldehyde

3-piperidin-1-ylmorpholine-4-carbaldehyde (PubChem CID 141242138) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-piperidin-1-ylmorpholine-4-carbaldehyde.

Molecular Properties

Compound Name3-piperidin-1-ylmorpholine-4-carbaldehyde
PubChem CID141242138
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-piperidin-1-ylmorpholine-4-carbaldehyde
SMILESO=CN1CCOCC1N1CCCCC1
InChIInChI=1S/C10H18N2O2/c13-9-12-6-7-14-8-10(12)11-4-2-1-3-5-11/h9-10H,1-8H2
InChIKeyKBLDCVUYWAQHHE-UHFFFAOYSA-N
XLogP0.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-piperidin-1-ylmorpholine-4-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylmorpholine-4-carbaldehyde?
The IUPAC name of 3-piperidin-1-ylmorpholine-4-carbaldehyde (CID 141242138) is 3-piperidin-1-ylmorpholine-4-carbaldehyde.
What is the SMILES notation for 3-piperidin-1-ylmorpholine-4-carbaldehyde?
The canonical SMILES for 3-piperidin-1-ylmorpholine-4-carbaldehyde is O=CN1CCOCC1N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylmorpholine-4-carbaldehyde?
The InChIKey is KBLDCVUYWAQHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-9-12-6-7-14-8-10(12)11-4-2-1-3-5-11/h9-10H,1-8H2.
What are the key properties of 3-piperidin-1-ylmorpholine-4-carbaldehyde?
3-piperidin-1-ylmorpholine-4-carbaldehyde has a molecular weight of 198.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylmorpholine-4-carbaldehyde is sourced from PubChem (CID 141242138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).