[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

C13H18N2O3 — CID 104954674

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCC(O)C1CCN(C(=O)c2ncccc2O)CC1
InChIInChI=1S/C13H18N2O3/c1-9(16)10-4-7-15(8-5-10)13(18)12-11(17)3-2-6-14-12/h2-3,6,9-10,16-17H,4-5,7-8H2,1H3
InChIKeyXIIJMAPMFRBVIU-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.02
Rot. Bonds2

About [4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 104954674) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
PubChem CID104954674
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCC(O)C1CCN(C(=O)c2ncccc2O)CC1
InChIInChI=1S/C13H18N2O3/c1-9(16)10-4-7-15(8-5-10)13(18)12-11(17)3-2-6-14-12/h2-3,6,9-10,16-17H,4-5,7-8H2,1H3
InChIKeyXIIJMAPMFRBVIU-UHFFFAOYSA-N
XLogP1.02
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-2-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205969
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 107524939
[4-(ethylaminomethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 80552354
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 110023160
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone
CID 60923480
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
(4-ethyl-4-methylpiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 55139224
[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 91795995
(4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone
CID 118902078
(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677851

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (CID 104954674) is [4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is CC(O)C1CCN(C(=O)c2ncccc2O)CC1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is XIIJMAPMFRBVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(16)10-4-7-15(8-5-10)13(18)12-11(17)3-2-6-14-12/h2-3,6,9-10,16-17H,4-5,7-8H2,1H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 250.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 104954674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).