(5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C13H18BrNO3 — CID 110895265

IUPAC(5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cc(Br)oc1C(=O)N1CCCCC1CCO
InChIInChI=1S/C13H18BrNO3/c1-9-8-11(14)18-12(9)13(17)15-6-3-2-4-10(15)5-7-16/h8,10,16H,2-7H2,1H3
InChIKeyIWJUZNCGVYJEEY-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.73
Rot. Bonds3

About (5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 110895265) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is (5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID110895265
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name(5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cc(Br)oc1C(=O)N1CCCCC1CCO
InChIInChI=1S/C13H18BrNO3/c1-9-8-11(14)18-12(9)13(17)15-6-3-2-4-10(15)5-7-16/h8,10,16H,2-7H2,1H3
InChIKeyIWJUZNCGVYJEEY-UHFFFAOYSA-N
XLogP2.73
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 102704877
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
1-(5-bromo-3-methylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113905
(2-bromo-4,5-difluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 86814312
3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide
CID 90757369
(4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103956467
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 43621061
(3,5-dimethyl-1-benzofuran-2-yl)-[2-(3-hydroxypropyl)piperidin-1-yl]methanone
CID 45221687
(2-ethyl-5-methylpyrazol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 66122618
3-[1-(5-bromo-7-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 120689675
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 110895265) is (5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is Cc1cc(Br)oc1C(=O)N1CCCCC1CCO.
What is the InChIKey of (5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is IWJUZNCGVYJEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-9-8-11(14)18-12(9)13(17)15-6-3-2-4-10(15)5-7-16/h8,10,16H,2-7H2,1H3.
What are the key properties of (5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 316.19 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110895265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).