4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde

C14H25NO2 — CID 55066134

IUPAC4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde
SMILESCCC1CCCN(CC2(C=O)CCOCC2)C1
InChIInChI=1S/C14H25NO2/c1-2-13-4-3-7-15(10-13)11-14(12-16)5-8-17-9-6-14/h12-13H,2-11H2,1H3
InChIKeyNVAVEQCGVSCEFL-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds4

About 4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde

4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde (PubChem CID 55066134) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde
PubChem CID55066134
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde
SMILESCCC1CCCN(CC2(C=O)CCOCC2)C1
InChIInChI=1S/C14H25NO2/c1-2-13-4-3-7-15(10-13)11-14(12-16)5-8-17-9-6-14/h12-13H,2-11H2,1H3
InChIKeyNVAVEQCGVSCEFL-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

4-[(3-propoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 62391625
4-(pyrrolidin-1-ylmethyl)oxane-4-carbaldehyde
CID 62391613
4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde
CID 55066133
N-[[4-[(3-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391828
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxane-4-carbaldehyde
CID 115561822
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxane-4-carbaldehyde
CID 79183741
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde
CID 55217181
4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde
CID 106837702
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde
CID 112628863
4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 62391619
4-[(4-hydroxy-4-methylazepan-1-yl)methyl]oxane-4-carbaldehyde
CID 107408634
1-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]cycloheptane-1-carbaldehyde
CID 112628845

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde (CID 55066134) is 4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde is CCC1CCCN(CC2(C=O)CCOCC2)C1.
What is the InChIKey of 4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde?
The InChIKey is NVAVEQCGVSCEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-13-4-3-7-15(10-13)11-14(12-16)5-8-17-9-6-14/h12-13H,2-11H2,1H3.
What are the key properties of 4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde?
4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde has a molecular weight of 239.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 55066134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).