3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid

C17H24FNO2 — CID 114873048

IUPAC3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid
SMILESCCC(c1cccc(F)c1)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C17H24FNO2/c1-2-16(14-4-3-5-15(18)12-14)19-10-8-13(9-11-19)6-7-17(20)21/h3-5,12-13,16H,2,6-11H2,1H3,(H,20,21)
InChIKeyNAWGHSUQTFNTFZ-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.85
Rot. Bonds6

About 3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid

3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid (PubChem CID 114873048) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid
PubChem CID114873048
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid
SMILESCCC(c1cccc(F)c1)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C17H24FNO2/c1-2-16(14-4-3-5-15(18)12-14)19-10-8-13(9-11-19)6-7-17(20)21/h3-5,12-13,16H,2,6-11H2,1H3,(H,20,21)
InChIKeyNAWGHSUQTFNTFZ-UHFFFAOYSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic 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

2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
CID 83981502
1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984631
1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine
CID 114872144
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
1-[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4006339
1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3912751
3-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 65053931
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
3-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 107711629
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid (CID 114873048) is 3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid is CCC(c1cccc(F)c1)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid?
The InChIKey is NAWGHSUQTFNTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-2-16(14-4-3-5-15(18)12-14)19-10-8-13(9-11-19)6-7-17(20)21/h3-5,12-13,16H,2,6-11H2,1H3,(H,20,21).
What are the key properties of 3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid?
3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid has a molecular weight of 293.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 114873048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).