3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde

C11H14BrNO2 — CID 82379066

IUPAC3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde
SMILESCN1CCC(c2cc(Br)c(C=O)o2)CC1
InChIInChI=1S/C11H14BrNO2/c1-13-4-2-8(3-5-13)10-6-9(12)11(7-14)15-10/h6-8H,2-5H2,1H3
InChIKeyYUOBOVZXQAWRFN-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.66
Rot. Bonds2

About 3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde

3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde (PubChem CID 82379066) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde
PubChem CID82379066
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde
SMILESCN1CCC(c2cc(Br)c(C=O)o2)CC1
InChIInChI=1S/C11H14BrNO2/c1-13-4-2-8(3-5-13)10-6-9(12)11(7-14)15-10/h6-8H,2-5H2,1H3
InChIKeyYUOBOVZXQAWRFN-UHFFFAOYSA-N
XLogP2.66
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.66
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 3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde?
The IUPAC name of 3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde (CID 82379066) is 3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde.
What is the SMILES notation for 3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde?
The canonical SMILES for 3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde is CN1CCC(c2cc(Br)c(C=O)o2)CC1.
What is the InChIKey of 3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde?
The InChIKey is YUOBOVZXQAWRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-13-4-2-8(3-5-13)10-6-9(12)11(7-14)15-10/h6-8H,2-5H2,1H3.
What are the key properties of 3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde?
3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde has a molecular weight of 272.14 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde is sourced from PubChem (CID 82379066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).