5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde

C11H15NO2 — CID 7255959

IUPAC5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde
SMILESC[C@@H]1CCCCN1c1ccc(C=O)o1
InChIInChI=1S/C11H15NO2/c1-9-4-2-3-7-12(9)11-6-5-10(8-13)14-11/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyVEESJKGXTHDKKE-SECBINFHSA-N
MW193.25 g/mol
LogP2.47
Rot. Bonds2

About 5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde

5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde (PubChem CID 7255959) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde
PubChem CID7255959
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde
SMILESC[C@@H]1CCCCN1c1ccc(C=O)o1
InChIInChI=1S/C11H15NO2/c1-9-4-2-3-7-12(9)11-6-5-10(8-13)14-11/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyVEESJKGXTHDKKE-SECBINFHSA-N
XLogP2.47
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 ≤ 52.47
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-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde (CID 7255959) is 5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde is C[C@@H]1CCCCN1c1ccc(C=O)o1.
What is the InChIKey of 5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde?
The InChIKey is VEESJKGXTHDKKE-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9-4-2-3-7-12(9)11-6-5-10(8-13)14-11/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of 5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde?
5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde is sourced from PubChem (CID 7255959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).