4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid

C14H18FNO3 — CID 61220908

IUPAC4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid
SMILESCCOC1CCN(c2ccc(C(=O)O)cc2F)CC1
InChIInChI=1S/C14H18FNO3/c1-2-19-11-5-7-16(8-6-11)13-4-3-10(14(17)18)9-12(13)15/h3-4,9,11H,2,5-8H2,1H3,(H,17,18)
InChIKeyBIBIOXZNYKESNJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.53
Rot. Bonds4

About 4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid

4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid (PubChem CID 61220908) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid
PubChem CID61220908
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid
SMILESCCOC1CCN(c2ccc(C(=O)O)cc2F)CC1
InChIInChI=1S/C14H18FNO3/c1-2-19-11-5-7-16(8-6-11)13-4-3-10(14(17)18)9-12(13)15/h3-4,9,11H,2,5-8H2,1H3,(H,17,18)
InChIKeyBIBIOXZNYKESNJ-UHFFFAOYSA-N
XLogP2.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethoxypiperidin-1-yl)-3-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

4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
4-[4-[(dipropylamino)methyl]piperidin-1-yl]-3-fluorobenzoic acid
CID 156711612
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
3-fluoro-4-(3-fluoropyrrolidin-1-yl)benzoic acid
CID 123634729
ethyl 3-fluoro-4-(3-methoxypyrrolidin-1-yl)benzoate
CID 146335739
4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 61441707
4-[3-(dimethylamino)pyrrolidin-1-yl]-3-fluorobenzoic acid
CID 63164456
[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
CID 61216671
2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline
CID 61220325
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-fluorobenzoic acid
CID 176582674
4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide
CID 80551926
[4-(4-ethoxypiperidin-1-yl)-3-nitrophenyl]-phenylmethanone
CID 133271350

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid (CID 61220908) is 4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid is CCOC1CCN(c2ccc(C(=O)O)cc2F)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid?
The InChIKey is BIBIOXZNYKESNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-19-11-5-7-16(8-6-11)13-4-3-10(14(17)18)9-12(13)15/h3-4,9,11H,2,5-8H2,1H3,(H,17,18).
What are the key properties of 4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid?
4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid is sourced from PubChem (CID 61220908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).