4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde

C13H23NO3 — CID 62391619

IUPAC4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
SMILESCOC1CCN(CC2(C=O)CCOCC2)CC1
InChIInChI=1S/C13H23NO3/c1-16-12-2-6-14(7-3-12)10-13(11-15)4-8-17-9-5-13/h11-12H,2-10H2,1H3
InChIKeyWNHNNKQLDUOYQC-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.09
Rot. Bonds4

About 4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde

4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde (PubChem CID 62391619) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
PubChem CID62391619
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
SMILESCOC1CCN(CC2(C=O)CCOCC2)CC1
InChIInChI=1S/C13H23NO3/c1-16-12-2-6-14(7-3-12)10-13(11-15)4-8-17-9-5-13/h11-12H,2-10H2,1H3
InChIKeyWNHNNKQLDUOYQC-UHFFFAOYSA-N
XLogP1.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde (CID 62391619) is 4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde is COC1CCN(CC2(C=O)CCOCC2)CC1.
What is the InChIKey of 4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde?
The InChIKey is WNHNNKQLDUOYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-16-12-2-6-14(7-3-12)10-13(11-15)4-8-17-9-5-13/h11-12H,2-10H2,1H3.
What are the key properties of 4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde?
4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde has a molecular weight of 241.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 62391619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).