4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde

C11H14ClNO2 — CID 83839980

IUPAC4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde
SMILESCN1CCC(c2oc(C=O)cc2Cl)CC1
InChIInChI=1S/C11H14ClNO2/c1-13-4-2-8(3-5-13)11-10(12)6-9(7-14)15-11/h6-8H,2-5H2,1H3
InChIKeyWKEIHRZEXMEJLA-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.55
Rot. Bonds2

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

4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde (PubChem CID 83839980) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde
PubChem CID83839980
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde
SMILESCN1CCC(c2oc(C=O)cc2Cl)CC1
InChIInChI=1S/C11H14ClNO2/c1-13-4-2-8(3-5-13)11-10(12)6-9(7-14)15-11/h6-8H,2-5H2,1H3
InChIKeyWKEIHRZEXMEJLA-UHFFFAOYSA-N
XLogP2.55
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.55
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-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde?
The IUPAC name of 4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde (CID 83839980) is 4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde.
What is the SMILES notation for 4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde?
The canonical SMILES for 4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde is CN1CCC(c2oc(C=O)cc2Cl)CC1.
What is the InChIKey of 4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde?
The InChIKey is WKEIHRZEXMEJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-13-4-2-8(3-5-13)11-10(12)6-9(7-14)15-11/h6-8H,2-5H2,1H3.
What are the key properties of 4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde?
4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde has a molecular weight of 227.69 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde is sourced from PubChem (CID 83839980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).