3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde

C14H25NO2 — CID 63741150

IUPAC3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde
SMILESCC1CCCN(CC2(C=O)CCCOC2)C1C
InChIInChI=1S/C14H25NO2/c1-12-5-3-7-15(13(12)2)9-14(10-16)6-4-8-17-11-14/h10,12-13H,3-9,11H2,1-2H3
InChIKeyVJWBNURRRYHNNY-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds3

About 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde

3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde (PubChem CID 63741150) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde
PubChem CID63741150
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde
SMILESCC1CCCN(CC2(C=O)CCCOC2)C1C
InChIInChI=1S/C14H25NO2/c1-12-5-3-7-15(13(12)2)9-14(10-16)6-4-8-17-11-14/h10,12-13H,3-9,11H2,1-2H3
InChIKeyVJWBNURRRYHNNY-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.10
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 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde?
The IUPAC name of 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde (CID 63741150) is 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde.
What is the SMILES notation for 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde?
The canonical SMILES for 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde is CC1CCCN(CC2(C=O)CCCOC2)C1C.
What is the InChIKey of 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde?
The InChIKey is VJWBNURRRYHNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12-5-3-7-15(13(12)2)9-14(10-16)6-4-8-17-11-14/h10,12-13H,3-9,11H2,1-2H3.
What are the key properties of 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde?
3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde has a molecular weight of 239.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxane-3-carbaldehyde is sourced from PubChem (CID 63741150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).