4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid

C15H18FNO4 — CID 123227827

IUPAC4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid
SMILESCc1ccc(C2CCN(C(=O)O)CC2(C)C(=O)O)cc1F
InChIInChI=1S/C15H18FNO4/c1-9-3-4-10(7-12(9)16)11-5-6-17(14(20)21)8-15(11,2)13(18)19/h3-4,7,11H,5-6,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFMPDVGFLDDQCJZ-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.69
Rot. Bonds2

About 4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid

4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid (PubChem CID 123227827) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid
PubChem CID123227827
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid
SMILESCc1ccc(C2CCN(C(=O)O)CC2(C)C(=O)O)cc1F
InChIInChI=1S/C15H18FNO4/c1-9-3-4-10(7-12(9)16)11-5-6-17(14(20)21)8-15(11,2)13(18)19/h3-4,7,11H,5-6,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFMPDVGFLDDQCJZ-UHFFFAOYSA-N
XLogP2.69
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid (CID 123227827) is 4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid.
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid is Cc1ccc(C2CCN(C(=O)O)CC2(C)C(=O)O)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid?
The InChIKey is FMPDVGFLDDQCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-9-3-4-10(7-12(9)16)11-5-6-17(14(20)21)8-15(11,2)13(18)19/h3-4,7,11H,5-6,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid?
4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 123227827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).