2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid

C15H20FNO2 — CID 107907513

IUPAC2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
SMILESCCC1CCCCN1Cc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H20FNO2/c1-2-13-5-3-4-8-17(13)10-11-9-12(16)6-7-14(11)15(18)19/h6-7,9,13H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyKKNGHQUJKUVZPE-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.29
Rot. Bonds4

About 2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid

2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid (PubChem CID 107907513) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
PubChem CID107907513
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
SMILESCCC1CCCCN1Cc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H20FNO2/c1-2-13-5-3-4-8-17(13)10-11-9-12(16)6-7-14(11)15(18)19/h6-7,9,13H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyKKNGHQUJKUVZPE-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 114014611
[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
CID 104689110
2-[(2-ethylpiperidin-1-yl)methyl]-5-fluorobenzenecarbothioamide
CID 63292628
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 107907776
1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43219345
3-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 105372416
2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid
CID 43313045
3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62215995
1-[1-[(2,5-difluorophenyl)methyl]azepan-2-yl]propan-2-one
CID 79559683
2-(2-ethylpiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227563
2-[1-[(5-fluoro-2-hydroxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 107701806
3-[(2-ethylazepan-1-yl)methyl]thiophene-2-carboxylic acid
CID 113441793

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid?
The IUPAC name of 2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid (CID 107907513) is 2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid is CCC1CCCCN1Cc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid?
The InChIKey is KKNGHQUJKUVZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-13-5-3-4-8-17(13)10-11-9-12(16)6-7-14(11)15(18)19/h6-7,9,13H,2-5,8,10H2,1H3,(H,18,19).
What are the key properties of 2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid?
2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.29, 4 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)methyl]-4-fluorobenzoic acid is sourced from PubChem (CID 107907513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).