2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde

C15H18FNO2 — CID 164751514

IUPAC2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde
SMILESCc1cc(C2CCC(C)CN2C(=O)C=O)ccc1F
InChIInChI=1S/C15H18FNO2/c1-10-3-6-14(17(8-10)15(19)9-18)12-4-5-13(16)11(2)7-12/h4-5,7,9-10,14H,3,6,8H2,1-2H3
InChIKeyIGDCCJQYGWWUIZ-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.63
Rot. Bonds2

About 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde

2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde (PubChem CID 164751514) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde
PubChem CID164751514
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde
SMILESCc1cc(C2CCC(C)CN2C(=O)C=O)ccc1F
InChIInChI=1S/C15H18FNO2/c1-10-3-6-14(17(8-10)15(19)9-18)12-4-5-13(16)11(2)7-12/h4-5,7,9-10,14H,3,6,8H2,1-2H3
InChIKeyIGDCCJQYGWWUIZ-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde?
The IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde (CID 164751514) is 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde is Cc1cc(C2CCC(C)CN2C(=O)C=O)ccc1F.
What is the InChIKey of 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde?
The InChIKey is IGDCCJQYGWWUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-10-3-6-14(17(8-10)15(19)9-18)12-4-5-13(16)11(2)7-12/h4-5,7,9-10,14H,3,6,8H2,1-2H3.
What are the key properties of 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde?
2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde has a molecular weight of 263.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde is sourced from PubChem (CID 164751514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).