5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid

C12H17NO4 — CID 79083924

IUPAC5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N1CCCC(O)C1
InChIInChI=1S/C12H17NO4/c1-8(13-6-2-3-9(14)7-13)10-4-5-11(17-10)12(15)16/h4-5,8-9,14H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyVAFMDXYAGLEFEQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.50
Rot. Bonds3

About 5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid

5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid (PubChem CID 79083924) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
PubChem CID79083924
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N1CCCC(O)C1
InChIInChI=1S/C12H17NO4/c1-8(13-6-2-3-9(14)7-13)10-4-5-11(17-10)12(15)16/h4-5,8-9,14H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyVAFMDXYAGLEFEQ-UHFFFAOYSA-N
XLogP1.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79090059
5-[1-(3-methoxypyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 103535178
5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083753
(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol
CID 71633408
5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 81204459
5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid
CID 79083918
5-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]furan-2-carboxylic acid
CID 79084540
5-[1-(5,6-difluoro-1,3-dihydroisoindol-2-yl)ethyl]furan-2-carboxylic acid
CID 146107382
2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62035237
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674
methyl 5-[1-(2-methyl-1,4-oxazepan-4-yl)ethyl]furan-2-carboxylate
CID 78920571
(3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol
CID 129494667

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid (CID 79083924) is 5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid is CC(c1ccc(C(=O)O)o1)N1CCCC(O)C1.
What is the InChIKey of 5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid?
The InChIKey is VAFMDXYAGLEFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(13-6-2-3-9(14)7-13)10-4-5-11(17-10)12(15)16/h4-5,8-9,14H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid?
5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79083924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).