5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid

C14H21NO4 — CID 43621061

IUPAC5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CN2CCCCC2CCO)oc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-10-8-12(19-13(10)14(17)18)9-15-6-3-2-4-11(15)5-7-16/h8,11,16H,2-7,9H2,1H3,(H,17,18)
InChIKeyNOLLASUCTSXCNN-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.02
Rot. Bonds5

About 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid

5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 43621061) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
PubChem CID43621061
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CN2CCCCC2CCO)oc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-10-8-12(19-13(10)14(17)18)9-15-6-3-2-4-11(15)5-7-16/h8,11,16H,2-7,9H2,1H3,(H,17,18)
InChIKeyNOLLASUCTSXCNN-UHFFFAOYSA-N
XLogP2.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 112748717
methyl 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62014550
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 104967824
4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-6,8-dimethylchromen-2-one
CID 3818799
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 107223516
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 111111607
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345630
5-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 106836377
(5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 110895265
5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 83056535
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216991
5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 138004391

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid (CID 43621061) is 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(CN2CCCCC2CCO)oc1C(=O)O.
What is the InChIKey of 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is NOLLASUCTSXCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-8-12(19-13(10)14(17)18)9-15-6-3-2-4-11(15)5-7-16/h8,11,16H,2-7,9H2,1H3,(H,17,18).
What are the key properties of 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid?
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 43621061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).