4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde

C11H15NO2 — CID 82402034

IUPAC4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde
SMILESCN1CCC(c2cocc2C=O)CC1
InChIInChI=1S/C11H15NO2/c1-12-4-2-9(3-5-12)11-8-14-7-10(11)6-13/h6-9H,2-5H2,1H3
InChIKeyHMHFFNGYOJPFAG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.90
Rot. Bonds2

About 4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde

4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde (PubChem CID 82402034) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde
PubChem CID82402034
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde
SMILESCN1CCC(c2cocc2C=O)CC1
InChIInChI=1S/C11H15NO2/c1-12-4-2-9(3-5-12)11-8-14-7-10(11)6-13/h6-9H,2-5H2,1H3
InChIKeyHMHFFNGYOJPFAG-UHFFFAOYSA-N
XLogP1.90
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.90
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 4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde?
The IUPAC name of 4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde (CID 82402034) is 4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde is CN1CCC(c2cocc2C=O)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde?
The InChIKey is HMHFFNGYOJPFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-4-2-9(3-5-12)11-8-14-7-10(11)6-13/h6-9H,2-5H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde?
4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)furan-3-carbaldehyde is sourced from PubChem (CID 82402034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).