2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid

C14H18FNO2 — CID 43313045

IUPAC2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid
SMILESCCC1CCCCN1c1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H18FNO2/c1-2-11-5-3-4-8-16(11)13-7-6-10(15)9-12(13)14(17)18/h6-7,9,11H,2-5,8H2,1H3,(H,17,18)
InChIKeyDESFELABAYWOIT-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.29
Rot. Bonds3

About 2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid

2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid (PubChem CID 43313045) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid
PubChem CID43313045
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid
SMILESCCC1CCCCN1c1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H18FNO2/c1-2-11-5-3-4-8-16(11)13-7-6-10(15)9-12(13)14(17)18/h6-7,9,11H,2-5,8H2,1H3,(H,17,18)
InChIKeyDESFELABAYWOIT-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic 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

5-amino-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 54888136
4-(2-ethylpiperidin-1-yl)-2,3-difluorobenzoic acid
CID 114017910
4-(2-ethylpyrrolidin-1-yl)-2,3-difluorobenzoic acid
CID 107935549
[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 43313937
4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 63081491
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63368240
2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 107907513
1-[4-(2-ethylazepan-1-yl)-3-fluorophenyl]ethanone
CID 104690171
4-(2-ethylazepan-1-yl)-3-methylbenzoic acid
CID 104690142
N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313933
5-fluoro-2-[2-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 61407533
2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid
CID 62514460

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid (CID 43313045) is 2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid is CCC1CCCCN1c1ccc(F)cc1C(=O)O.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid?
The InChIKey is DESFELABAYWOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-11-5-3-4-8-16(11)13-7-6-10(15)9-12(13)14(17)18/h6-7,9,11H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid?
2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid has a molecular weight of 251.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid is sourced from PubChem (CID 43313045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).