1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid

C17H24FNO2 — CID 65064522

IUPAC1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C17H24FNO2/c1-3-6-17(16(20)21)7-9-19(10-8-17)12-14-5-4-13(2)15(18)11-14/h4-5,11H,3,6-10,12H2,1-2H3,(H,20,21)
InChIKeyWMPFVFXQERTLCU-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.60
Rot. Bonds5

About 1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid

1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 65064522) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID65064522
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C17H24FNO2/c1-3-6-17(16(20)21)7-9-19(10-8-17)12-14-5-4-13(2)15(18)11-14/h4-5,11H,3,6-10,12H2,1-2H3,(H,20,21)
InChIKeyWMPFVFXQERTLCU-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-[(3-fluoro-4-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]-3-propylpyrrolidine-3-carboxylic acid
CID 65068611
1-[(4-chloro-3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65064671
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 105372430
1-[(4-bromo-3-fluorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 81440690
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108
1-[(6-fluorooxynaphthalen-2-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 146646538
1-[(3-chloro-4-fluorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 81156835
1-[(4-chlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55166742
1-[(3,4-dichlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148676
1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine
CID 122520466
2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79606523
1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid
CID 63127117

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid (CID 65064522) is 1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(Cc2ccc(C)c(F)c2)CC1.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is WMPFVFXQERTLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-3-6-17(16(20)21)7-9-19(10-8-17)12-14-5-4-13(2)15(18)11-14/h4-5,11H,3,6-10,12H2,1-2H3,(H,20,21).
What are the key properties of 1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid?
1-[(3-fluoro-4-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-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65064522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).