5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid

C13H19NO4 — CID 106945824

IUPAC5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid
SMILESCC(C)N1CCC(O)(c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C13H19NO4/c1-9(2)14-7-5-13(17,6-8-14)11-4-3-10(18-11)12(15)16/h3-4,9,17H,5-8H2,1-2H3,(H,15,16)
InChIKeyAKQYKFLLFHSEED-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.67
Rot. Bonds3

About 5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid

5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid (PubChem CID 106945824) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid
PubChem CID106945824
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid
SMILESCC(C)N1CCC(O)(c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C13H19NO4/c1-9(2)14-7-5-13(17,6-8-14)11-4-3-10(18-11)12(15)16/h3-4,9,17H,5-8H2,1-2H3,(H,15,16)
InChIKeyAKQYKFLLFHSEED-UHFFFAOYSA-N
XLogP1.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid
CID 106945846
5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid
CID 106946107
5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid
CID 106946211
5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid
CID 103840627
4-(furan-2-yl)-1-propan-2-ylazepan-4-ol
CID 65077325
5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid
CID 106946250
2-ethyl-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)benzoic acid
CID 68967663
4-(5-fluoro-1-benzofuran-2-yl)-1-propan-2-ylazepan-4-ol
CID 114723969
5-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)furan-2-carboxylic acid
CID 106946439
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid
CID 106946294
5-[1-[(1-methylcyclopropyl)amino]ethyl]furan-2-carboxylic acid
CID 103264000

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid (CID 106945824) is 5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid is CC(C)N1CCC(O)(c2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid?
The InChIKey is AKQYKFLLFHSEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(2)14-7-5-13(17,6-8-14)11-4-3-10(18-11)12(15)16/h3-4,9,17H,5-8H2,1-2H3,(H,15,16).
What are the key properties of 5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid?
5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid is sourced from PubChem (CID 106945824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).