4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid

C18H20FNO5 — CID 56882724

IUPAC4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccccc2F)CCN(Cc2ccc(CO)o2)CC1
InChIInChI=1S/C18H20FNO5/c19-15-3-1-2-4-16(15)25-18(17(22)23)7-9-20(10-8-18)11-13-5-6-14(12-21)24-13/h1-6,21H,7-12H2,(H,22,23)
InChIKeyQEYRATKIORBANG-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.41
Rot. Bonds6

About 4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid

4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 56882724) has the molecular formula C18H20FNO5 and a molecular weight of 349.36 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID56882724
Molecular FormulaC18H20FNO5
Molecular Weight349.36 g/mol
Exact Mass349.13
IUPAC Name4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccccc2F)CCN(Cc2ccc(CO)o2)CC1
InChIInChI=1S/C18H20FNO5/c19-15-3-1-2-4-16(15)25-18(17(22)23)7-9-20(10-8-18)11-13-5-6-14(12-21)24-13/h1-6,21H,7-12H2,(H,22,23)
InChIKeyQEYRATKIORBANG-UHFFFAOYSA-N
XLogP2.41
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
CID 56893029
4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56883286
1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
CID 56894387
[5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 95121456
4-(benzimidazol-1-yl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 56918210
[5-(azocan-1-ylmethyl)furan-2-yl]methanol
CID 115879764
[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol
CID 56917105
1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 96576694
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70776089
1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 65064757
1-(2-bromophenoxy)cyclopropane-1-carboxylic acid
CID 130480790
1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70757151

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid (CID 56882724) is 4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1(Oc2ccccc2F)CCN(Cc2ccc(CO)o2)CC1.
What is the InChIKey of 4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is QEYRATKIORBANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5/c19-15-3-1-2-4-16(15)25-18(17(22)23)7-9-20(10-8-18)11-13-5-6-14(12-21)24-13/h1-6,21H,7-12H2,(H,22,23).
What are the key properties of 4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 349.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56882724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).