1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid

C17H24FNO2 — CID 105372430

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2cc(F)ccc2C)CC1
InChIInChI=1S/C17H24FNO2/c1-3-6-17(16(20)21)7-9-19(10-8-17)12-14-11-15(18)5-4-13(14)2/h4-5,11H,3,6-10,12H2,1-2H3,(H,20,21)
InChIKeyMXUXVEYQGSUDOY-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.60
Rot. Bonds5

About 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid

1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 105372430) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID105372430
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2cc(F)ccc2C)CC1
InChIInChI=1S/C17H24FNO2/c1-3-6-17(16(20)21)7-9-19(10-8-17)12-14-11-15(18)5-4-13(14)2/h4-5,11H,3,6-10,12H2,1-2H3,(H,20,21)
InChIKeyMXUXVEYQGSUDOY-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65064522
(3S,4R)-1-[(5-fluoro-2-methylphenyl)methyl]-4-(hydroxymethyl)-4-propylpiperidin-3-ol
CID 134701590
4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 63126703
1-[(3-fluoro-4-methylphenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068611
1-[(2,5-dimethylphenyl)methyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 55165586
1-[(4-chloro-3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65064671
1-[(2-cyano-4-fluorophenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63289555
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108
1-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124425
1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 105375889
1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 115529610
1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161911

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid (CID 105372430) is 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(Cc2cc(F)ccc2C)CC1.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is MXUXVEYQGSUDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-3-6-17(16(20)21)7-9-19(10-8-17)12-14-11-15(18)5-4-13(14)2/h4-5,11H,3,6-10,12H2,1-2H3,(H,20,21).
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid?
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 293.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 105372430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).