5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde

C12H17NO3 — CID 106587503

IUPAC5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde
SMILESCOCC1CCCN(c2ccc(C=O)o2)C1
InChIInChI=1S/C12H17NO3/c1-15-9-10-3-2-6-13(7-10)12-5-4-11(8-14)16-12/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyUKELMIOAGHNGHF-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.95
Rot. Bonds4

About 5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde

5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde (PubChem CID 106587503) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde
PubChem CID106587503
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde
SMILESCOCC1CCCN(c2ccc(C=O)o2)C1
InChIInChI=1S/C12H17NO3/c1-15-9-10-3-2-6-13(7-10)12-5-4-11(8-14)16-12/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyUKELMIOAGHNGHF-UHFFFAOYSA-N
XLogP1.95
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(methoxymethyl)piperidin-1-yl]sulfonylfuran-2-carbaldehyde
CID 106589861
5-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]furan-2-carbaldehyde
CID 131142453
6-[3-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 106587511
2-[3-(methoxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 64597755
ethyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate
CID 39196910
2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 106587506
5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde
CID 82690812
5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde
CID 102960754
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpyridine
CID 164927032
(1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol
CID 106587670
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde
CID 102781885
5-(3-methylideneazetidin-1-yl)furan-2-carbaldehyde
CID 165453188

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde (CID 106587503) is 5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde is COCC1CCCN(c2ccc(C=O)o2)C1.
What is the InChIKey of 5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde?
The InChIKey is UKELMIOAGHNGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-9-10-3-2-6-13(7-10)12-5-4-11(8-14)16-12/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of 5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde?
5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde has a molecular weight of 223.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)piperidin-1-yl]furan-2-carbaldehyde is sourced from PubChem (CID 106587503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).