5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde

C16H17NO2 — CID 3655982

IUPAC5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2)oc1N1CCCCC1
InChIInChI=1S/C16H17NO2/c18-12-14-11-15(13-7-3-1-4-8-13)19-16(14)17-9-5-2-6-10-17/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyDXBQYZZPJVABNR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.75
Rot. Bonds3

About 5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde

5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde (PubChem CID 3655982) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde.

Molecular Properties

Compound Name5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde
PubChem CID3655982
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2)oc1N1CCCCC1
InChIInChI=1S/C16H17NO2/c18-12-14-11-15(13-7-3-1-4-8-13)19-16(14)17-9-5-2-6-10-17/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyDXBQYZZPJVABNR-UHFFFAOYSA-N
XLogP3.75
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.75
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 5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde?
The IUPAC name of 5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde (CID 3655982) is 5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde.
What is the SMILES notation for 5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde?
The canonical SMILES for 5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde is O=Cc1cc(-c2ccccc2)oc1N1CCCCC1.
What is the InChIKey of 5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde?
The InChIKey is DXBQYZZPJVABNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-12-14-11-15(13-7-3-1-4-8-13)19-16(14)17-9-5-2-6-10-17/h1,3-4,7-8,11-12H,2,5-6,9-10H2.
What are the key properties of 5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde?
5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde has a molecular weight of 255.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-piperidin-1-ylfuran-3-carbaldehyde is sourced from PubChem (CID 3655982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).