5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid

C18H20FNO4 — CID 167909565

IUPAC5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(OCc3ccccc3F)CC2)o1
InChIInChI=1S/C18H20FNO4/c19-16-4-2-1-3-13(16)12-23-14-7-9-20(10-8-14)11-15-5-6-17(24-15)18(21)22/h1-6,14H,7-12H2,(H,21,22)
InChIKeyXOENEKKIKUIRLF-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.30
Rot. Bonds6

About 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid

5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 167909565) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid
PubChem CID167909565
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Name5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(OCc3ccccc3F)CC2)o1
InChIInChI=1S/C18H20FNO4/c19-16-4-2-1-3-13(16)12-23-14-7-9-20(10-8-14)11-15-5-6-17(24-15)18(21)22/h1-6,14H,7-12H2,(H,21,22)
InChIKeyXOENEKKIKUIRLF-UHFFFAOYSA-N
XLogP3.30
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid
CID 63933619
5-[[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 89474418
1-[(1-ethylpyrazol-4-yl)methyl]-4-[(2-fluorophenyl)methoxy]piperidine
CID 75500048
5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole
CID 126829118
5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750343
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
1-[(2-fluorophenyl)methoxy]-3-(4-phenylmethoxypiperidin-1-yl)propan-2-ol
CID 86913317
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 166240280
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 42850910

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid (CID 167909565) is 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CN2CCC(OCc3ccccc3F)CC2)o1.
What is the InChIKey of 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is XOENEKKIKUIRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c19-16-4-2-1-3-13(16)12-23-14-7-9-20(10-8-14)11-15-5-6-17(24-15)18(21)22/h1-6,14H,7-12H2,(H,21,22).
What are the key properties of 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid?
5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 333.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 167909565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).